6-(2-methylanilino)pyridine-3-carbonyl chloride

C13H11ClN2O — CID 151910424

IUPAC6-(2-methylanilino)pyridine-3-carbonyl chloride
SMILESCc1ccccc1Nc1ccc(C(=O)Cl)cn1
InChIInChI=1S/C13H11ClN2O/c1-9-4-2-3-5-11(9)16-12-7-6-10(8-15-12)13(14)17/h2-8H,1H3,(H,15,16)
InChIKeySUQNHBDKOOXUCF-UHFFFAOYSA-N
MW246.70 g/mol
LogP3.51
Rot. Bonds3

About 6-(2-methylanilino)pyridine-3-carbonyl chloride

6-(2-methylanilino)pyridine-3-carbonyl chloride (PubChem CID 151910424) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 6-(2-methylanilino)pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-(2-methylanilino)pyridine-3-carbonyl chloride
PubChem CID151910424
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name6-(2-methylanilino)pyridine-3-carbonyl chloride
SMILESCc1ccccc1Nc1ccc(C(=O)Cl)cn1
InChIInChI=1S/C13H11ClN2O/c1-9-4-2-3-5-11(9)16-12-7-6-10(8-15-12)13(14)17/h2-8H,1H3,(H,15,16)
InChIKeySUQNHBDKOOXUCF-UHFFFAOYSA-N
XLogP3.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 6-(2-methylanilino)pyridine-3-carbonyl chloride 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-methylbenzenecarbothioyl)amino]pyridine-3-carbonyl chloride
CID 22099782
methyl 6-(2-aminoanilino)pyridine-3-carboxylate
CID 118017531
3,4-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzamide
CID 113016106
6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide
CID 2599141
N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113016079
4-methyl-N-[5-(2-methylanilino)-2-pyridinyl]benzamide
CID 113031308
methyl 6-[(3-methyl-4-pyridinyl)amino]pyridine-3-carboxylate
CID 66524293
2-[6-(2-methylanilino)-3-pyridinyl]guanidine
CID 110179572
6-(2-methylsulfanylanilino)pyridine-3-carboxylic acid
CID 107645121
N-[2-(1H-indol-3-yl)ethyl]-6-(2-methylanilino)pyridine-3-carboxamide
CID 109159746
N-[6-(2-methylanilino)-3-pyridinyl]-3-phenylpropanamide
CID 113016114
N-[6-(2-methylanilino)-3-pyridinyl]thiophene-2-carboxamide
CID 113016087

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylanilino)pyridine-3-carbonyl chloride?
The IUPAC name of 6-(2-methylanilino)pyridine-3-carbonyl chloride (CID 151910424) is 6-(2-methylanilino)pyridine-3-carbonyl chloride.
What is the SMILES notation for 6-(2-methylanilino)pyridine-3-carbonyl chloride?
The canonical SMILES for 6-(2-methylanilino)pyridine-3-carbonyl chloride is Cc1ccccc1Nc1ccc(C(=O)Cl)cn1.
What is the InChIKey of 6-(2-methylanilino)pyridine-3-carbonyl chloride?
The InChIKey is SUQNHBDKOOXUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c1-9-4-2-3-5-11(9)16-12-7-6-10(8-15-12)13(14)17/h2-8H,1H3,(H,15,16).
What are the key properties of 6-(2-methylanilino)pyridine-3-carbonyl chloride?
6-(2-methylanilino)pyridine-3-carbonyl chloride has a molecular weight of 246.70 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylanilino)pyridine-3-carbonyl chloride is sourced from PubChem (CID 151910424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).