6-[(2-bromoanilino)methyl]pyridine-2-carboxylic acid

C13H11BrN2O2 — CID 106904396

IUPAC6-[(2-bromoanilino)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CNc2ccccc2Br)n1
InChIInChI=1S/C13H11BrN2O2/c14-10-5-1-2-6-11(10)15-8-9-4-3-7-12(16-9)13(17)18/h1-7,15H,8H2,(H,17,18)
InChIKeyRDJIJPWAMUAYLI-UHFFFAOYSA-N
MW307.15 g/mol
LogP3.15
Rot. Bonds4

About 6-[(2-bromoanilino)methyl]pyridine-2-carboxylic acid

6-[(2-bromoanilino)methyl]pyridine-2-carboxylic acid (PubChem CID 106904396) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is 6-[(2-bromoanilino)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-bromoanilino)methyl]pyridine-2-carboxylic acid
PubChem CID106904396
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC Name6-[(2-bromoanilino)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CNc2ccccc2Br)n1
InChIInChI=1S/C13H11BrN2O2/c14-10-5-1-2-6-11(10)15-8-9-4-3-7-12(16-9)13(17)18/h1-7,15H,8H2,(H,17,18)
InChIKeyRDJIJPWAMUAYLI-UHFFFAOYSA-N
XLogP3.15
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[(2-bromoanilino)methyl]pyridine-2-carboxylic acid 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

6-[(2,5-dibromoanilino)methyl]pyridine-2-carboxylic acid
CID 106904582
6-[(2,4-dibromoanilino)methyl]pyridine-2-carboxylic acid
CID 106904620
6-[(2,4,6-tribromoanilino)methyl]pyridine-2-carboxylic acid
CID 106904439
6-[(2-bromo-5-chloro-4-methylanilino)methyl]pyridine-2-carboxylic acid
CID 106904956
6-[[(1,3-dioxo-2-benzofuran-4-yl)amino]methyl]pyridine-2-carboxylic acid
CID 156761601
6-[(4-chloroanilino)methyl]pyridine-2-carboxylic acid
CID 106904394
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
6-[(2,4-dimethoxyanilino)methyl]pyridine-2-carboxylic acid
CID 106904347
6-[(2,6-dibromophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903241
6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 84676608
6-[(5-chloro-2-cyanoanilino)methyl]pyridine-2-carboxylic acid
CID 106904725
6-[[4-(dimethylamino)anilino]methyl]pyridine-2-carboxylic acid
CID 106904488

Frequently Asked Questions

What is the IUPAC name of 6-[(2-bromoanilino)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-bromoanilino)methyl]pyridine-2-carboxylic acid (CID 106904396) is 6-[(2-bromoanilino)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-bromoanilino)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-bromoanilino)methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(CNc2ccccc2Br)n1.
What is the InChIKey of 6-[(2-bromoanilino)methyl]pyridine-2-carboxylic acid?
The InChIKey is RDJIJPWAMUAYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c14-10-5-1-2-6-11(10)15-8-9-4-3-7-12(16-9)13(17)18/h1-7,15H,8H2,(H,17,18).
What are the key properties of 6-[(2-bromoanilino)methyl]pyridine-2-carboxylic acid?
6-[(2-bromoanilino)methyl]pyridine-2-carboxylic acid has a molecular weight of 307.15 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-bromoanilino)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).