[1-[(2-chlorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol

C15H13ClN2O — CID 66414894

IUPAC[1-[(2-chlorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESOCc1cn(Cc2ccccc2Cl)c2ncccc12
InChIInChI=1S/C15H13ClN2O/c16-14-6-2-1-4-11(14)8-18-9-12(10-19)13-5-3-7-17-15(13)18/h1-7,9,19H,8,10H2
InChIKeyBGGHJXHKGWYNBK-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.23
Rot. Bonds3

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

[1-[(2-chlorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol (PubChem CID 66414894) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
PubChem CID66414894
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name[1-[(2-chlorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESOCc1cn(Cc2ccccc2Cl)c2ncccc12
InChIInChI=1S/C15H13ClN2O/c16-14-6-2-1-4-11(14)8-18-9-12(10-19)13-5-3-7-17-15(13)18/h1-7,9,19H,8,10H2
InChIKeyBGGHJXHKGWYNBK-UHFFFAOYSA-N
XLogP3.23
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(3-chloro-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 102856709
[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-(1,2-oxazol-4-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66416460
[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66413713
[1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66414895
[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66416265
[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-[(5-ethylthiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66415282
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 102617098
[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-[(2-chlorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
The IUPAC name of [1-[(2-chlorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol (CID 66414894) is [1-[(2-chlorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol is OCc1cn(Cc2ccccc2Cl)c2ncccc12.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
The InChIKey is BGGHJXHKGWYNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-14-6-2-1-4-11(14)8-18-9-12(10-19)13-5-3-7-17-15(13)18/h1-7,9,19H,8,10H2.
What are the key properties of [1-[(2-chlorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
[1-[(2-chlorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol has a molecular weight of 272.74 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol is sourced from PubChem (CID 66414894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).