1-[(4-bromophenyl)methyl]-4-methoxypyrrolo[3,2-c]pyridine-7-carboxylic acid

C16H13BrN2O3 — CID 139578584

IUPAC1-[(4-bromophenyl)methyl]-4-methoxypyrrolo[3,2-c]pyridine-7-carboxylic acid
SMILESCOc1ncc(C(=O)O)c2c1ccn2Cc1ccc(Br)cc1
InChIInChI=1S/C16H13BrN2O3/c1-22-15-12-6-7-19(9-10-2-4-11(17)5-3-10)14(12)13(8-18-15)16(20)21/h2-8H,9H2,1H3,(H,20,21)
InChIKeyCOIFVQLZHQBALG-UHFFFAOYSA-N
MW361.20 g/mol
LogP3.55
Rot. Bonds4

About 1-[(4-bromophenyl)methyl]-4-methoxypyrrolo[3,2-c]pyridine-7-carboxylic acid

1-[(4-bromophenyl)methyl]-4-methoxypyrrolo[3,2-c]pyridine-7-carboxylic acid (PubChem CID 139578584) has the molecular formula C16H13BrN2O3 and a molecular weight of 361.20 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-4-methoxypyrrolo[3,2-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-4-methoxypyrrolo[3,2-c]pyridine-7-carboxylic acid
PubChem CID139578584
Molecular FormulaC16H13BrN2O3
Molecular Weight361.20 g/mol
Exact Mass360.01
IUPAC Name1-[(4-bromophenyl)methyl]-4-methoxypyrrolo[3,2-c]pyridine-7-carboxylic acid
SMILESCOc1ncc(C(=O)O)c2c1ccn2Cc1ccc(Br)cc1
InChIInChI=1S/C16H13BrN2O3/c1-22-15-12-6-7-19(9-10-2-4-11(17)5-3-10)14(12)13(8-18-15)16(20)21/h2-8H,9H2,1H3,(H,20,21)
InChIKeyCOIFVQLZHQBALG-UHFFFAOYSA-N
XLogP3.55
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-bromophenyl)methyl]-4-methoxypyrrolo[3,2-c]pyridine-7-carboxylic acid with MolForge

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Related Compounds

2-[[1-[[4-(6-ethoxy-3-pyridinyl)phenyl]methyl]-4-methoxypyrrolo[3,2-c]pyridine-7-carbonyl]amino]spiro[3.3]heptane-6-carboxylic acid
CID 139578527
6-ethyl-1-methoxyisoquinoline-4-carboxylic acid
CID 84694428
1,7-dimethoxyisoquinoline-4-carboxylic acid
CID 84696458
5-hydroxy-1-methoxyisoquinoline-4-carboxylic acid
CID 84684367
4-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methyl]benzoic acid
CID 118140132
1-[(4-bromophenyl)methyl]-5-propan-2-ylpyrazole-4-carboxylic acid
CID 55171648
5-(3-bromophenyl)-2-methoxypyridine-3-carboxylic acid
CID 117222132
1-[(5-bromo-2-pyridinyl)methyl]-5-chloroindole-7-carboxylic acid
CID 58306630
3-[(4-bromophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446238
methyl 4-chloro-1H-pyrrolo[3,2-c]pyridine-7-carboxylate;methyl 1-[(4-methoxyphenyl)methyl]-4-oxo-5H-pyrrolo[3,2-c]pyridine-7-carboxylate
CID 159811717
methyl 1-[(4-bromophenyl)methyl]indole-3-carboxylate
CID 973154
1-[(4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 80502819

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-4-methoxypyrrolo[3,2-c]pyridine-7-carboxylic acid?
The IUPAC name of 1-[(4-bromophenyl)methyl]-4-methoxypyrrolo[3,2-c]pyridine-7-carboxylic acid (CID 139578584) is 1-[(4-bromophenyl)methyl]-4-methoxypyrrolo[3,2-c]pyridine-7-carboxylic acid.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-4-methoxypyrrolo[3,2-c]pyridine-7-carboxylic acid?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-4-methoxypyrrolo[3,2-c]pyridine-7-carboxylic acid is COc1ncc(C(=O)O)c2c1ccn2Cc1ccc(Br)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-4-methoxypyrrolo[3,2-c]pyridine-7-carboxylic acid?
The InChIKey is COIFVQLZHQBALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O3/c1-22-15-12-6-7-19(9-10-2-4-11(17)5-3-10)14(12)13(8-18-15)16(20)21/h2-8H,9H2,1H3,(H,20,21).
What are the key properties of 1-[(4-bromophenyl)methyl]-4-methoxypyrrolo[3,2-c]pyridine-7-carboxylic acid?
1-[(4-bromophenyl)methyl]-4-methoxypyrrolo[3,2-c]pyridine-7-carboxylic acid has a molecular weight of 361.20 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-4-methoxypyrrolo[3,2-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 139578584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).