3-bromopropanoyl chloride;3-(3-bromopropyl)-1H-pyrrolo[2,3-b]pyridine;3-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine

C78H76Br3ClF4N14O7 — CID 161134279

IUPAC3-bromopropanoyl chloride;3-(3-bromopropyl)-1H-pyrrolo[2,3-b]pyridine;3-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine
SMILESBrCCCc1c[nH]c2ncccc12.NCCCCc1c[nH]c2ncccc12.O=C(CCBr)c1c[nH]c2ncccc12.O=C(Cl)CCBr.O=C(NCCCCc1c[nH]c2ncccc12)c1cccn(Cc2ccc(F)c(F)c2)c1=O.O=C(O)c1cccn(Cc2ccc(F)c(F)c2)c1=O.c1cnc2[nH]ccc2c1
InChIInChI=1S/C24H22F2N4O2.C13H9F2NO3.C11H15N3.C10H9BrN2O.C10H11BrN2.C7H6N2.C3H4BrClO/c25-20-9-8-16(13-21(20)26)15-30-12-4-7-19(24(30)32)23(31)28-10-2-1-5-17-14-29-22-18(17)6-3-11-27-22;14-10-4-3-8(6-11(10)15)7-16-5-1-2-9(12(16)17)13(18)19;12-6-2-1-4-9-8-14-11-10(9)5-3-7-13-11;11-4-3-9(14)8-6-13-10-7(8)2-1-5-12-10;11-5-1-3-8-7-13-10-9(8)4-2-6-12-10;1-2-6-3-5-9-7(6)8-4-1;4-2-1-3(5)6/h3-4,6-9,11-14H,1-2,5,10,15H2,(H,27,29)(H,28,31);1-6H,7H2,(H,18,19);3,5,7-8H,1-2,4,6,12H2,(H,13,14);1-2,5-6H,3-4H2,(H,12,13);2,4,6-7H,1,3,5H2,(H,12,13);1-5H,(H,8,9);1-2H2
InChIKeyUMPABMYNOCQMFZ-UHFFFAOYSA-N
MW1672.71 g/mol
LogP16.04
Rot. Bonds23

About 3-bromopropanoyl chloride;3-(3-bromopropyl)-1H-pyrrolo[2,3-b]pyridine;3-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine

3-bromopropanoyl chloride;3-(3-bromopropyl)-1H-pyrrolo[2,3-b]pyridine;3-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine (PubChem CID 161134279) has the molecular formula C78H76Br3ClF4N14O7 and a molecular weight of 1672.71 g/mol. Its IUPAC name is 3-bromopropanoyl chloride;3-(3-bromopropyl)-1H-pyrrolo[2,3-b]pyridine;3-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine.

Molecular Properties

Compound Name3-bromopropanoyl chloride;3-(3-bromopropyl)-1H-pyrrolo[2,3-b]pyridine;3-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine
PubChem CID161134279
Molecular FormulaC78H76Br3ClF4N14O7
Molecular Weight1672.71 g/mol
Exact Mass1668.32
IUPAC Name3-bromopropanoyl chloride;3-(3-bromopropyl)-1H-pyrrolo[2,3-b]pyridine;3-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine
SMILESBrCCCc1c[nH]c2ncccc12.NCCCCc1c[nH]c2ncccc12.O=C(CCBr)c1c[nH]c2ncccc12.O=C(Cl)CCBr.O=C(NCCCCc1c[nH]c2ncccc12)c1cccn(Cc2ccc(F)c(F)c2)c1=O.O=C(O)c1cccn(Cc2ccc(F)c(F)c2)c1=O.c1cnc2[nH]ccc2c1
InChIInChI=1S/C24H22F2N4O2.C13H9F2NO3.C11H15N3.C10H9BrN2O.C10H11BrN2.C7H6N2.C3H4BrClO/c25-20-9-8-16(13-21(20)26)15-30-12-4-7-19(24(30)32)23(31)28-10-2-1-5-17-14-29-22-18(17)6-3-11-27-22;14-10-4-3-8(6-11(10)15)7-16-5-1-2-9(12(16)17)13(18)19;12-6-2-1-4-9-8-14-11-10(9)5-3-7-13-11;11-4-3-9(14)8-6-13-10-7(8)2-1-5-12-10;11-5-1-3-8-7-13-10-9(8)4-2-6-12-10;1-2-6-3-5-9-7(6)8-4-1;4-2-1-3(5)6/h3-4,6-9,11-14H,1-2,5,10,15H2,(H,27,29)(H,28,31);1-6H,7H2,(H,18,19);3,5,7-8H,1-2,4,6,12H2,(H,13,14);1-2,5-6H,3-4H2,(H,12,13);2,4,6-7H,1,3,5H2,(H,12,13);1-5H,(H,8,9);1-2H2
InChIKeyUMPABMYNOCQMFZ-UHFFFAOYSA-N
XLogP16.04
TPSA313.96 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds23
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001672.71
LogP ≤ 516.04
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-bromopropanoyl chloride;3-(3-bromopropyl)-1H-pyrrolo[2,3-b]pyridine;3-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine with MolForge

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Related Compounds

6-bromopyridine-3-carbonyl chloride;(6-bromo-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine;N-[5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-4-(trifluoromethyl)benzamide;4-(trifluoromethyl)benzamide
CID 160341864
5-benzyl-1-methyl-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3-carboxamide;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methane;1-methyl-N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxamide;5,5,5-trifluoro-1-[1-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl]pentan-1-one
CID 165089935
4-fluoro-7-hydroxy-N-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide;4-fluoro-7-hydroxy-N-piperidin-4-ylpyrrolo[2,3-b]pyridine-3-carboxamide;4-fluoro-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;4-fluoro-1H-pyrrolo[2,3-b]pyridine;4-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-methylpiperidin-4-amine;2,2,2-trichloroacetyl chloride;hydrochloride
CID 157290002
5-bromopentanoyl chloride;3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-one;1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(4-chlorophenyl)methyl]-2-oxo-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-amine
CID 158385444
5-bromo-1-(7H-cyclopenta[b]pyridin-5-yl)pentan-1-one;5-bromopentanoyl chloride;5-(5-bromopentyl)-7H-cyclopenta[b]pyridine;1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(4-chlorophenyl)methyl]-3-[7-(1H-pyrrolo[2,3-b]pyridin-3-yl)heptanoyl]pyridin-2-one;7H-cyclopenta[b]pyridine;5-(7H-cyclopenta[b]pyridin-5-yl)pentan-1-amine
CID 160914782
lithium;5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-tert-butyl-1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;N-methoxy-N-methylbutanamide;methyl 5-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)butan-1-one;dihydroxide
CID 161048365
sodium;ethane;N-methylpyrrolo[2,3-b]pyridin-1-ide-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;pyrrolo[2,3-b]pyridin-1-ide;pyrrolo[2,3-b]pyridin-1-ide-3-carboxylic acid;2,2,2-trichloro-1-pyrrolo[2,3-b]pyridin-1-id-3-ylethanone;tetrakis(yttrium);hydroxide
CID 161362773

Frequently Asked Questions

What is the IUPAC name of 3-bromopropanoyl chloride;3-(3-bromopropyl)-1H-pyrrolo[2,3-b]pyridine;3-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine?
The IUPAC name of 3-bromopropanoyl chloride;3-(3-bromopropyl)-1H-pyrrolo[2,3-b]pyridine;3-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine (CID 161134279) is 3-bromopropanoyl chloride;3-(3-bromopropyl)-1H-pyrrolo[2,3-b]pyridine;3-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine.
What is the SMILES notation for 3-bromopropanoyl chloride;3-(3-bromopropyl)-1H-pyrrolo[2,3-b]pyridine;3-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine?
The canonical SMILES for 3-bromopropanoyl chloride;3-(3-bromopropyl)-1H-pyrrolo[2,3-b]pyridine;3-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine is BrCCCc1c[nH]c2ncccc12.NCCCCc1c[nH]c2ncccc12.O=C(CCBr)c1c[nH]c2ncccc12.O=C(Cl)CCBr.O=C(NCCCCc1c[nH]c2ncccc12)c1cccn(Cc2ccc(F)c(F)c2)c1=O.O=C(O)c1cccn(Cc2ccc(F)c(F)c2)c1=O.c1cnc2[nH]ccc2c1.
What is the InChIKey of 3-bromopropanoyl chloride;3-(3-bromopropyl)-1H-pyrrolo[2,3-b]pyridine;3-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine?
The InChIKey is UMPABMYNOCQMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O2.C13H9F2NO3.C11H15N3.C10H9BrN2O.C10H11BrN2.C7H6N2.C3H4BrClO/c25-20-9-8-16(13-21(20)26)15-30-12-4-7-19(24(30)32)23(31)28-10-2-1-5-17-14-29-22-18(17)6-3-11-27-22;14-10-4-3-8(6-11(10)15)7-16-5-1-2-9(12(16)17)13(18)19;12-6-2-1-4-9-8-14-11-10(9)5-3-7-13-11;11-4-3-9(14)8-6-13-10-7(8)2-1-5-12-10;11-5-1-3-8-7-13-10-9(8)4-2-6-12-10;1-2-6-3-5-9-7(6)8-4-1;4-2-1-3(5)6/h3-4,6-9,11-14H,1-2,5,10,15H2,(H,27,29)(H,28,31);1-6H,7H2,(H,18,19);3,5,7-8H,1-2,4,6,12H2,(H,13,14);1-2,5-6H,3-4H2,(H,12,13);2,4,6-7H,1,3,5H2,(H,12,13);1-5H,(H,8,9);1-2H2.
What are the key properties of 3-bromopropanoyl chloride;3-(3-bromopropyl)-1H-pyrrolo[2,3-b]pyridine;3-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine?
3-bromopropanoyl chloride;3-(3-bromopropyl)-1H-pyrrolo[2,3-b]pyridine;3-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine has a molecular weight of 1672.71 g/mol, XLogP of 16.04, 23 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopropanoyl chloride;3-(3-bromopropyl)-1H-pyrrolo[2,3-b]pyridine;3-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine is sourced from PubChem (CID 161134279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).