[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol

C16H15BrN2O2 — CID 66414492

IUPAC[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESCOc1ccc(Br)c(Cn2cc(CO)c3cccnc32)c1
InChIInChI=1S/C16H15BrN2O2/c1-21-13-4-5-15(17)11(7-13)8-19-9-12(10-20)14-3-2-6-18-16(14)19/h2-7,9,20H,8,10H2,1H3
InChIKeyQVTJTPGZPXPRDJ-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.35
Rot. Bonds4

About [1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol

[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol (PubChem CID 66414492) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is [1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
PubChem CID66414492
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESCOc1ccc(Br)c(Cn2cc(CO)c3cccnc32)c1
InChIInChI=1S/C16H15BrN2O2/c1-21-13-4-5-15(17)11(7-13)8-19-9-12(10-20)14-3-2-6-18-16(14)19/h2-7,9,20H,8,10H2,1H3
InChIKeyQVTJTPGZPXPRDJ-UHFFFAOYSA-N
XLogP3.35
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66413921
[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66413713
[1-[(2-chlorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66414894
[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-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66416443
[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66415275
[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66415678
4-[[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-3-methylbenzonitrile
CID 114485000
8-bromo-6-[(2,4-dimethoxyphenyl)methyl]-1,6-naphthyridin-5-one
CID 162772120
[1-[(2,6-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 114930868
[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-bromo-5-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
The IUPAC name of [1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol (CID 66414492) is [1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol.
What is the SMILES notation for [1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
The canonical SMILES for [1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol is COc1ccc(Br)c(Cn2cc(CO)c3cccnc32)c1.
What is the InChIKey of [1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
The InChIKey is QVTJTPGZPXPRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-21-13-4-5-15(17)11(7-13)8-19-9-12(10-20)14-3-2-6-18-16(14)19/h2-7,9,20H,8,10H2,1H3.
What are the key properties of [1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol has a molecular weight of 347.21 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol is sourced from PubChem (CID 66414492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).