3-bromo-1H-pyrrolo[2,3-c]pyridine;tert-butyl 3-bromopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 3-tributylstannylpyrrolo[2,3-c]pyridine-1-carboxylate;molecular bromine;1H-pyrrolo[2,3-c]pyridine

C50H64Br4N8O4Sn — CID 167628200

IUPAC3-bromo-1H-pyrrolo[2,3-c]pyridine;tert-butyl 3-bromopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 3-tributylstannylpyrrolo[2,3-c]pyridine-1-carboxylate;molecular bromine;1H-pyrrolo[2,3-c]pyridine
SMILESBrBr.Brc1c[nH]c2cnccc12.CC(C)(C)OC(=O)n1cc(Br)c2ccncc21.CCCC[Sn](CCCC)(CCCC)c1cn(C(=O)OC(C)(C)C)c2cnccc12.c1cc2cc[nH]c2cn1
InChIInChI=1S/C12H13BrN2O2.C12H13N2O2.C7H5BrN2.C7H6N2.3C4H9.Br2.Sn/c1-12(2,3)17-11(16)15-7-9(13)8-4-5-14-6-10(8)15;1-12(2,3)16-11(15)14-7-5-9-4-6-13-8-10(9)14;8-6-3-10-7-4-9-2-1-5(6)7;1-3-8-5-7-6(1)2-4-9-7;3*1-3-4-2;1-2;/h4-7H,1-3H3;4,6-8H,1-3H3;1-4,10H;1-5,9H;3*1,3-4H2,2H3;;
InChIKeyNKJJFEWQANGTRD-UHFFFAOYSA-N
MW1279.44 g/mol
LogP16.04
Rot. Bonds10

About 3-bromo-1H-pyrrolo[2,3-c]pyridine;tert-butyl 3-bromopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 3-tributylstannylpyrrolo[2,3-c]pyridine-1-carboxylate;molecular bromine;1H-pyrrolo[2,3-c]pyridine

3-bromo-1H-pyrrolo[2,3-c]pyridine;tert-butyl 3-bromopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 3-tributylstannylpyrrolo[2,3-c]pyridine-1-carboxylate;molecular bromine;1H-pyrrolo[2,3-c]pyridine (PubChem CID 167628200) has the molecular formula C50H64Br4N8O4Sn and a molecular weight of 1279.44 g/mol. Its IUPAC name is 3-bromo-1H-pyrrolo[2,3-c]pyridine;tert-butyl 3-bromopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 3-tributylstannylpyrrolo[2,3-c]pyridine-1-carboxylate;molecular bromine;1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name3-bromo-1H-pyrrolo[2,3-c]pyridine;tert-butyl 3-bromopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 3-tributylstannylpyrrolo[2,3-c]pyridine-1-carboxylate;molecular bromine;1H-pyrrolo[2,3-c]pyridine
PubChem CID167628200
Molecular FormulaC50H64Br4N8O4Sn
Molecular Weight1279.44 g/mol
Exact Mass1276.08
IUPAC Name3-bromo-1H-pyrrolo[2,3-c]pyridine;tert-butyl 3-bromopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 3-tributylstannylpyrrolo[2,3-c]pyridine-1-carboxylate;molecular bromine;1H-pyrrolo[2,3-c]pyridine
SMILESBrBr.Brc1c[nH]c2cnccc12.CC(C)(C)OC(=O)n1cc(Br)c2ccncc21.CCCC[Sn](CCCC)(CCCC)c1cn(C(=O)OC(C)(C)C)c2cnccc12.c1cc2cc[nH]c2cn1
InChIInChI=1S/C12H13BrN2O2.C12H13N2O2.C7H5BrN2.C7H6N2.3C4H9.Br2.Sn/c1-12(2,3)17-11(16)15-7-9(13)8-4-5-14-6-10(8)15;1-12(2,3)16-11(15)14-7-5-9-4-6-13-8-10(9)14;8-6-3-10-7-4-9-2-1-5(6)7;1-3-8-5-7-6(1)2-4-9-7;3*1-3-4-2;1-2;/h4-7H,1-3H3;4,6-8H,1-3H3;1-4,10H;1-5,9H;3*1,3-4H2,2H3;;
InChIKeyNKJJFEWQANGTRD-UHFFFAOYSA-N
XLogP16.04
TPSA145.60 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001279.44
LogP ≤ 516.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

tert-butyl N-(5-bromo-3-pyridinyl)carbamate;tert-butyl N-[5-(1-methylpyrrol-2-yl)-3-pyridinyl]carbamate;5-(1-methylpyrrol-2-yl)pyridin-3-amine;1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole;hydrochloride
CID 157502962
tert-butyl (2S)-2-(1-methyl-7-phenylpyrrolo[2,3-c]pyridin-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(7-phenyl-1H-pyrrolo[2,3-c]pyridin-2-yl)pyrrolidine-1-carboxylate;iodomethane
CID 157865686
tert-butyl 2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl pyrrolo[2,3-c]pyridine-1-carboxylate;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;1H-pyrrolo[2,3-c]pyridine
CID 158331623
tert-butyl 2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl pyrrolo[2,3-c]pyridine-1-carboxylate;methane;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;1H-pyrrolo[2,3-c]pyridine
CID 158356526
3-bromo-1H-pyrrolo[2,3-c]pyridine;tert-butyl 3-bromopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 3-methylpyrrolo[2,3-c]pyridine-1-carboxylate
CID 158586192
CID 158699513
CID 158699513
tert-butyl 4-(3-bromo-2-pyridinyl)piperidine-1-carboxylate;bis(tert-butyl 4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidine-1-carboxylate);2,3-dihydro-1H-indole;1-(2-piperidin-4-yl-3-pyridinyl)-2,3-dihydroindole;hydrochloride
CID 158907938
tert-butyl 4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidine-1-carboxylate;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridine;3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine
CID 159105822
4-bromo-1-ethylpyrazolo[3,4-c]pyridine;4-bromo-1H-pyrazolo[3,4-c]pyridine;tert-butyl N-(1-ethylpyrazolo[5,4-c]pyridin-4-yl)carbamate;1-ethylpyrazolo[5,4-c]pyridin-4-amine
CID 159159297
4-bromo-1-(2-methoxyethyl)pyrazolo[3,4-c]pyridine;4-bromo-1H-pyrazolo[3,4-c]pyridine;tert-butyl N-[1-(2-methoxyethyl)pyrazolo[5,4-c]pyridin-4-yl]carbamate;1-(2-methoxyethyl)pyrazolo[5,4-c]pyridin-4-amine
CID 159262836
CID 160379962
CID 160379962
4-bromopyridine;tert-butyl 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;tert-butyl 6-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;2-chloroethanamine;1H-pyrrole;2-pyrrol-1-ylethanamine
CID 160512203

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1H-pyrrolo[2,3-c]pyridine;tert-butyl 3-bromopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 3-tributylstannylpyrrolo[2,3-c]pyridine-1-carboxylate;molecular bromine;1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 3-bromo-1H-pyrrolo[2,3-c]pyridine;tert-butyl 3-bromopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 3-tributylstannylpyrrolo[2,3-c]pyridine-1-carboxylate;molecular bromine;1H-pyrrolo[2,3-c]pyridine (CID 167628200) is 3-bromo-1H-pyrrolo[2,3-c]pyridine;tert-butyl 3-bromopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 3-tributylstannylpyrrolo[2,3-c]pyridine-1-carboxylate;molecular bromine;1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 3-bromo-1H-pyrrolo[2,3-c]pyridine;tert-butyl 3-bromopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 3-tributylstannylpyrrolo[2,3-c]pyridine-1-carboxylate;molecular bromine;1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 3-bromo-1H-pyrrolo[2,3-c]pyridine;tert-butyl 3-bromopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 3-tributylstannylpyrrolo[2,3-c]pyridine-1-carboxylate;molecular bromine;1H-pyrrolo[2,3-c]pyridine is BrBr.Brc1c[nH]c2cnccc12.CC(C)(C)OC(=O)n1cc(Br)c2ccncc21.CCCC[Sn](CCCC)(CCCC)c1cn(C(=O)OC(C)(C)C)c2cnccc12.c1cc2cc[nH]c2cn1.
What is the InChIKey of 3-bromo-1H-pyrrolo[2,3-c]pyridine;tert-butyl 3-bromopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 3-tributylstannylpyrrolo[2,3-c]pyridine-1-carboxylate;molecular bromine;1H-pyrrolo[2,3-c]pyridine?
The InChIKey is NKJJFEWQANGTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2.C12H13N2O2.C7H5BrN2.C7H6N2.3C4H9.Br2.Sn/c1-12(2,3)17-11(16)15-7-9(13)8-4-5-14-6-10(8)15;1-12(2,3)16-11(15)14-7-5-9-4-6-13-8-10(9)14;8-6-3-10-7-4-9-2-1-5(6)7;1-3-8-5-7-6(1)2-4-9-7;3*1-3-4-2;1-2;/h4-7H,1-3H3;4,6-8H,1-3H3;1-4,10H;1-5,9H;3*1,3-4H2,2H3;;.
What are the key properties of 3-bromo-1H-pyrrolo[2,3-c]pyridine;tert-butyl 3-bromopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 3-tributylstannylpyrrolo[2,3-c]pyridine-1-carboxylate;molecular bromine;1H-pyrrolo[2,3-c]pyridine?
3-bromo-1H-pyrrolo[2,3-c]pyridine;tert-butyl 3-bromopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 3-tributylstannylpyrrolo[2,3-c]pyridine-1-carboxylate;molecular bromine;1H-pyrrolo[2,3-c]pyridine has a molecular weight of 1279.44 g/mol, XLogP of 16.04, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1H-pyrrolo[2,3-c]pyridine;tert-butyl 3-bromopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 3-tributylstannylpyrrolo[2,3-c]pyridine-1-carboxylate;molecular bromine;1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 167628200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).