(3-bromo-4-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone

C15H11BrN2O2 — CID 102626761

IUPAC(3-bromo-4-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
SMILESCOc1ccc(C(=O)c2c[nH]c3ccncc23)cc1Br
InChIInChI=1S/C15H11BrN2O2/c1-20-14-3-2-9(6-12(14)16)15(19)11-8-18-13-4-5-17-7-10(11)13/h2-8,18H,1H3
InChIKeyUJVBQGPJQXEBSO-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.57
Rot. Bonds3

About (3-bromo-4-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone

(3-bromo-4-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone (PubChem CID 102626761) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
PubChem CID102626761
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name(3-bromo-4-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
SMILESCOc1ccc(C(=O)c2c[nH]c3ccncc23)cc1Br
InChIInChI=1S/C15H11BrN2O2/c1-20-14-3-2-9(6-12(14)16)15(19)11-8-18-13-4-5-17-7-10(11)13/h2-8,18H,1H3
InChIKeyUJVBQGPJQXEBSO-UHFFFAOYSA-N
XLogP3.57
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-bromo-4-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-amino-3-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626921
(2,6-dimethoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626742
(3-bromo-4-methoxyphenyl)-isoquinolin-5-ylmethanone
CID 114971003
(2-fluoro-6-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626762
(3-bromo-4-methoxyphenyl)-(7-chloro-1H-indol-3-yl)methanone
CID 103474352
(3-aminophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626876
1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone
CID 43339248
(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43339859
(3-bromo-4-methoxyphenyl)-(1H-pyrrol-3-yl)methanone
CID 63750525
3-(3,4-dimethoxybenzoyl)-1H-quinolin-4-one
CID 53337347
(5-bromo-3-pyridinyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43340450
(5-chlorofuran-2-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 106683904

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone (CID 102626761) is (3-bromo-4-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone is COc1ccc(C(=O)c2c[nH]c3ccncc23)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The InChIKey is UJVBQGPJQXEBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c1-20-14-3-2-9(6-12(14)16)15(19)11-8-18-13-4-5-17-7-10(11)13/h2-8,18H,1H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
(3-bromo-4-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone has a molecular weight of 331.17 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone is sourced from PubChem (CID 102626761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).