5-bromo-2-methoxypyridine;2-chloro-5-cyclobutylpyridine;cyclobutylboronic acid;4-cyclobutylcyclohexa-2,4-dien-1-one;5-cyclobutyl-2-methoxypyridine;5-cyclobutylpyridin-2-amine;N-(5-cyclobutyl-2-pyridinyl)-1,1-diphenylmethanimine;ethyl 3-bromo-2-oxopropanoate;ethyl 6-cyclobutylimidazo[1,2-a]pyridine-2-carboxylate

C89H105BBr2ClN9O10 — CID 158139260

IUPAC5-bromo-2-methoxypyridine;2-chloro-5-cyclobutylpyridine;cyclobutylboronic acid;4-cyclobutylcyclohexa-2,4-dien-1-one;5-cyclobutyl-2-methoxypyridine;5-cyclobutylpyridin-2-amine;N-(5-cyclobutyl-2-pyridinyl)-1,1-diphenylmethanimine;ethyl 3-bromo-2-oxopropanoate;ethyl 6-cyclobutylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)C(=O)CBr.CCOC(=O)c1cn2cc(C3CCC3)ccc2n1.COc1ccc(Br)cn1.COc1ccc(C2CCC2)cn1.Clc1ccc(C2CCC2)cn1.Nc1ccc(C2CCC2)cn1.O=C1C=CC(C2CCC2)=CC1.OB(O)C1CCC1.c1ccc(C(=Nc2ccc(C3CCC3)cn2)c2ccccc2)cc1
InChIInChI=1S/C22H20N2.C14H16N2O2.C10H13NO.C10H12O.C9H10ClN.C9H12N2.C6H6BrNO.C5H7BrO3.C4H9BO2/c1-3-8-18(9-4-1)22(19-10-5-2-6-11-19)24-21-15-14-20(16-23-21)17-12-7-13-17;1-2-18-14(17)12-9-16-8-11(10-4-3-5-10)6-7-13(16)15-12;1-12-10-6-5-9(7-11-10)8-3-2-4-8;11-10-6-4-9(5-7-10)8-2-1-3-8;2*10-9-5-4-8(6-11-9)7-2-1-3-7;1-9-6-3-2-5(7)4-8-6;1-2-9-5(8)4(7)3-6;6-5(7)4-2-1-3-4/h1-6,8-11,14-17H,7,12-13H2;6-10H,2-5H2,1H3;5-8H,2-4H2,1H3;4-6,8H,1-3,7H2;4-7H,1-3H2;4-7H,1-3H2,(H2,10,11);2-4H,1H3;2-3H2,1H3;4,6-7H,1-3H2
InChIKeyFTSVYCBKZPPGEE-UHFFFAOYSA-N
MW1666.94 g/mol
LogP20.21
Rot. Bonds17

About 5-bromo-2-methoxypyridine;2-chloro-5-cyclobutylpyridine;cyclobutylboronic acid;4-cyclobutylcyclohexa-2,4-dien-1-one;5-cyclobutyl-2-methoxypyridine;5-cyclobutylpyridin-2-amine;N-(5-cyclobutyl-2-pyridinyl)-1,1-diphenylmethanimine;ethyl 3-bromo-2-oxopropanoate;ethyl 6-cyclobutylimidazo[1,2-a]pyridine-2-carboxylate

5-bromo-2-methoxypyridine;2-chloro-5-cyclobutylpyridine;cyclobutylboronic acid;4-cyclobutylcyclohexa-2,4-dien-1-one;5-cyclobutyl-2-methoxypyridine;5-cyclobutylpyridin-2-amine;N-(5-cyclobutyl-2-pyridinyl)-1,1-diphenylmethanimine;ethyl 3-bromo-2-oxopropanoate;ethyl 6-cyclobutylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 158139260) has the molecular formula C89H105BBr2ClN9O10 and a molecular weight of 1666.94 g/mol. Its IUPAC name is 5-bromo-2-methoxypyridine;2-chloro-5-cyclobutylpyridine;cyclobutylboronic acid;4-cyclobutylcyclohexa-2,4-dien-1-one;5-cyclobutyl-2-methoxypyridine;5-cyclobutylpyridin-2-amine;N-(5-cyclobutyl-2-pyridinyl)-1,1-diphenylmethanimine;ethyl 3-bromo-2-oxopropanoate;ethyl 6-cyclobutylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name5-bromo-2-methoxypyridine;2-chloro-5-cyclobutylpyridine;cyclobutylboronic acid;4-cyclobutylcyclohexa-2,4-dien-1-one;5-cyclobutyl-2-methoxypyridine;5-cyclobutylpyridin-2-amine;N-(5-cyclobutyl-2-pyridinyl)-1,1-diphenylmethanimine;ethyl 3-bromo-2-oxopropanoate;ethyl 6-cyclobutylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID158139260
Molecular FormulaC89H105BBr2ClN9O10
Molecular Weight1666.94 g/mol
Exact Mass1663.61
IUPAC Name5-bromo-2-methoxypyridine;2-chloro-5-cyclobutylpyridine;cyclobutylboronic acid;4-cyclobutylcyclohexa-2,4-dien-1-one;5-cyclobutyl-2-methoxypyridine;5-cyclobutylpyridin-2-amine;N-(5-cyclobutyl-2-pyridinyl)-1,1-diphenylmethanimine;ethyl 3-bromo-2-oxopropanoate;ethyl 6-cyclobutylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)C(=O)CBr.CCOC(=O)c1cn2cc(C3CCC3)ccc2n1.COc1ccc(Br)cn1.COc1ccc(C2CCC2)cn1.Clc1ccc(C2CCC2)cn1.Nc1ccc(C2CCC2)cn1.O=C1C=CC(C2CCC2)=CC1.OB(O)C1CCC1.c1ccc(C(=Nc2ccc(C3CCC3)cn2)c2ccccc2)cc1
InChIInChI=1S/C22H20N2.C14H16N2O2.C10H13NO.C10H12O.C9H10ClN.C9H12N2.C6H6BrNO.C5H7BrO3.C4H9BO2/c1-3-8-18(9-4-1)22(19-10-5-2-6-11-19)24-21-15-14-20(16-23-21)17-12-7-13-17;1-2-18-14(17)12-9-16-8-11(10-4-3-5-10)6-7-13(16)15-12;1-12-10-6-5-9(7-11-10)8-3-2-4-8;11-10-6-4-9(5-7-10)8-2-1-3-8;2*10-9-5-4-8(6-11-9)7-2-1-3-7;1-9-6-3-2-5(7)4-8-6;1-2-9-5(8)4(7)3-6;6-5(7)4-2-1-3-4/h1-6,8-11,14-17H,7,12-13H2;6-10H,2-5H2,1H3;5-8H,2-4H2,1H3;4-6,8H,1-3,7H2;4-7H,1-3H2;4-7H,1-3H2,(H2,10,11);2-4H,1H3;2-3H2,1H3;4,6-7H,1-3H2
InChIKeyFTSVYCBKZPPGEE-UHFFFAOYSA-N
XLogP20.21
TPSA265.79 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001666.94
LogP ≤ 520.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-bromo-2-methoxypyridine;2-chloro-5-cyclobutylpyridine;cyclobutylboronic acid;4-cyclobutylcyclohexa-2,4-dien-1-one;5-cyclobutyl-2-methoxypyridine;5-cyclobutylpyridin-2-amine;N-(5-cyclobutyl-2-pyridinyl)-1,1-diphenylmethanimine;ethyl 3-bromo-2-oxopropanoate;ethyl 6-cyclobutylimidazo[1,2-a]pyridine-2-carboxylate with MolForge

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Related Compounds

5-Bromopyridin-2-amine;ethyl 6-bromo-3-ethylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopentanoate;ethyl 3-ethyl-6-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylate;3-ethyl-6-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-oxopentanoate
CID 159262525

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxypyridine;2-chloro-5-cyclobutylpyridine;cyclobutylboronic acid;4-cyclobutylcyclohexa-2,4-dien-1-one;5-cyclobutyl-2-methoxypyridine;5-cyclobutylpyridin-2-amine;N-(5-cyclobutyl-2-pyridinyl)-1,1-diphenylmethanimine;ethyl 3-bromo-2-oxopropanoate;ethyl 6-cyclobutylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of 5-bromo-2-methoxypyridine;2-chloro-5-cyclobutylpyridine;cyclobutylboronic acid;4-cyclobutylcyclohexa-2,4-dien-1-one;5-cyclobutyl-2-methoxypyridine;5-cyclobutylpyridin-2-amine;N-(5-cyclobutyl-2-pyridinyl)-1,1-diphenylmethanimine;ethyl 3-bromo-2-oxopropanoate;ethyl 6-cyclobutylimidazo[1,2-a]pyridine-2-carboxylate (CID 158139260) is 5-bromo-2-methoxypyridine;2-chloro-5-cyclobutylpyridine;cyclobutylboronic acid;4-cyclobutylcyclohexa-2,4-dien-1-one;5-cyclobutyl-2-methoxypyridine;5-cyclobutylpyridin-2-amine;N-(5-cyclobutyl-2-pyridinyl)-1,1-diphenylmethanimine;ethyl 3-bromo-2-oxopropanoate;ethyl 6-cyclobutylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for 5-bromo-2-methoxypyridine;2-chloro-5-cyclobutylpyridine;cyclobutylboronic acid;4-cyclobutylcyclohexa-2,4-dien-1-one;5-cyclobutyl-2-methoxypyridine;5-cyclobutylpyridin-2-amine;N-(5-cyclobutyl-2-pyridinyl)-1,1-diphenylmethanimine;ethyl 3-bromo-2-oxopropanoate;ethyl 6-cyclobutylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for 5-bromo-2-methoxypyridine;2-chloro-5-cyclobutylpyridine;cyclobutylboronic acid;4-cyclobutylcyclohexa-2,4-dien-1-one;5-cyclobutyl-2-methoxypyridine;5-cyclobutylpyridin-2-amine;N-(5-cyclobutyl-2-pyridinyl)-1,1-diphenylmethanimine;ethyl 3-bromo-2-oxopropanoate;ethyl 6-cyclobutylimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)C(=O)CBr.CCOC(=O)c1cn2cc(C3CCC3)ccc2n1.COc1ccc(Br)cn1.COc1ccc(C2CCC2)cn1.Clc1ccc(C2CCC2)cn1.Nc1ccc(C2CCC2)cn1.O=C1C=CC(C2CCC2)=CC1.OB(O)C1CCC1.c1ccc(C(=Nc2ccc(C3CCC3)cn2)c2ccccc2)cc1.
What is the InChIKey of 5-bromo-2-methoxypyridine;2-chloro-5-cyclobutylpyridine;cyclobutylboronic acid;4-cyclobutylcyclohexa-2,4-dien-1-one;5-cyclobutyl-2-methoxypyridine;5-cyclobutylpyridin-2-amine;N-(5-cyclobutyl-2-pyridinyl)-1,1-diphenylmethanimine;ethyl 3-bromo-2-oxopropanoate;ethyl 6-cyclobutylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is FTSVYCBKZPPGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2.C14H16N2O2.C10H13NO.C10H12O.C9H10ClN.C9H12N2.C6H6BrNO.C5H7BrO3.C4H9BO2/c1-3-8-18(9-4-1)22(19-10-5-2-6-11-19)24-21-15-14-20(16-23-21)17-12-7-13-17;1-2-18-14(17)12-9-16-8-11(10-4-3-5-10)6-7-13(16)15-12;1-12-10-6-5-9(7-11-10)8-3-2-4-8;11-10-6-4-9(5-7-10)8-2-1-3-8;2*10-9-5-4-8(6-11-9)7-2-1-3-7;1-9-6-3-2-5(7)4-8-6;1-2-9-5(8)4(7)3-6;6-5(7)4-2-1-3-4/h1-6,8-11,14-17H,7,12-13H2;6-10H,2-5H2,1H3;5-8H,2-4H2,1H3;4-6,8H,1-3,7H2;4-7H,1-3H2;4-7H,1-3H2,(H2,10,11);2-4H,1H3;2-3H2,1H3;4,6-7H,1-3H2.
What are the key properties of 5-bromo-2-methoxypyridine;2-chloro-5-cyclobutylpyridine;cyclobutylboronic acid;4-cyclobutylcyclohexa-2,4-dien-1-one;5-cyclobutyl-2-methoxypyridine;5-cyclobutylpyridin-2-amine;N-(5-cyclobutyl-2-pyridinyl)-1,1-diphenylmethanimine;ethyl 3-bromo-2-oxopropanoate;ethyl 6-cyclobutylimidazo[1,2-a]pyridine-2-carboxylate?
5-bromo-2-methoxypyridine;2-chloro-5-cyclobutylpyridine;cyclobutylboronic acid;4-cyclobutylcyclohexa-2,4-dien-1-one;5-cyclobutyl-2-methoxypyridine;5-cyclobutylpyridin-2-amine;N-(5-cyclobutyl-2-pyridinyl)-1,1-diphenylmethanimine;ethyl 3-bromo-2-oxopropanoate;ethyl 6-cyclobutylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 1666.94 g/mol, XLogP of 20.21, 17 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxypyridine;2-chloro-5-cyclobutylpyridine;cyclobutylboronic acid;4-cyclobutylcyclohexa-2,4-dien-1-one;5-cyclobutyl-2-methoxypyridine;5-cyclobutylpyridin-2-amine;N-(5-cyclobutyl-2-pyridinyl)-1,1-diphenylmethanimine;ethyl 3-bromo-2-oxopropanoate;ethyl 6-cyclobutylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 158139260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).