[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol

C15H12BrFN2O — CID 66413713

IUPAC[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESOCc1cn(Cc2ccc(Br)cc2F)c2ncccc12
InChIInChI=1S/C15H12BrFN2O/c16-12-4-3-10(14(17)6-12)7-19-8-11(9-20)13-2-1-5-18-15(13)19/h1-6,8,20H,7,9H2
InChIKeyLAMCMUOQNSBKTF-UHFFFAOYSA-N
MW335.18 g/mol
LogP3.48
Rot. Bonds3

About [1-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol

[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol (PubChem CID 66413713) has the molecular formula C15H12BrFN2O and a molecular weight of 335.18 g/mol. Its IUPAC name is [1-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
PubChem CID66413713
Molecular FormulaC15H12BrFN2O
Molecular Weight335.18 g/mol
Exact Mass334.01
IUPAC Name[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESOCc1cn(Cc2ccc(Br)cc2F)c2ncccc12
InChIInChI=1S/C15H12BrFN2O/c16-12-4-3-10(14(17)6-12)7-19-8-11(9-20)13-2-1-5-18-15(13)19/h1-6,8,20H,7,9H2
InChIKeyLAMCMUOQNSBKTF-UHFFFAOYSA-N
XLogP3.48
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
CID 66411003
3-fluoro-4-[[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzonitrile
CID 66414300
[1-[(2-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66413921
[1-[(2,6-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 114930868
[1-[(3-chloro-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 102856709
1-[(5-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 66415838
[1-[(2-chlorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66414894
4-[[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-3-methylbenzonitrile
CID 114485000
2-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 79697393
[1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66416443
[1-[(3,4-dimethylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66414898
[1-(2-bromoprop-2-enyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66414288

Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
The IUPAC name of [1-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol (CID 66413713) is [1-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol.
What is the SMILES notation for [1-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
The canonical SMILES for [1-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol is OCc1cn(Cc2ccc(Br)cc2F)c2ncccc12.
What is the InChIKey of [1-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
The InChIKey is LAMCMUOQNSBKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O/c16-12-4-3-10(14(17)6-12)7-19-8-11(9-20)13-2-1-5-18-15(13)19/h1-6,8,20H,7,9H2.
What are the key properties of [1-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol has a molecular weight of 335.18 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol is sourced from PubChem (CID 66413713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).