2-(6-chloro-2-pyridinyl)-3-(iodomethyl)-5-methylpyridine

C12H10ClIN2 — CID 146981349

IUPAC2-(6-chloro-2-pyridinyl)-3-(iodomethyl)-5-methylpyridine
SMILESCc1cnc(-c2cccc(Cl)n2)c(CI)c1
InChIInChI=1S/C12H10ClIN2/c1-8-5-9(6-14)12(15-7-8)10-3-2-4-11(13)16-10/h2-5,7H,6H2,1H3
InChIKeyAOJDRZNRRKRBDU-UHFFFAOYSA-N
MW344.58 g/mol
LogP4.04
Rot. Bonds2

About 2-(6-chloro-2-pyridinyl)-3-(iodomethyl)-5-methylpyridine

2-(6-chloro-2-pyridinyl)-3-(iodomethyl)-5-methylpyridine (PubChem CID 146981349) has the molecular formula C12H10ClIN2 and a molecular weight of 344.58 g/mol. Its IUPAC name is 2-(6-chloro-2-pyridinyl)-3-(iodomethyl)-5-methylpyridine.

Molecular Properties

Compound Name2-(6-chloro-2-pyridinyl)-3-(iodomethyl)-5-methylpyridine
PubChem CID146981349
Molecular FormulaC12H10ClIN2
Molecular Weight344.58 g/mol
Exact Mass343.96
IUPAC Name2-(6-chloro-2-pyridinyl)-3-(iodomethyl)-5-methylpyridine
SMILESCc1cnc(-c2cccc(Cl)n2)c(CI)c1
InChIInChI=1S/C12H10ClIN2/c1-8-5-9(6-14)12(15-7-8)10-3-2-4-11(13)16-10/h2-5,7H,6H2,1H3
InChIKeyAOJDRZNRRKRBDU-UHFFFAOYSA-N
XLogP4.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.58
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(6-chloro-2-pyridinyl)-3-(iodomethyl)-5-methylpyridine 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

2-chloro-6-(6-chloro-2-pyridinyl)pyridine
CID 10987918
2-chloro-6-(3-fluoro-5-methylphenyl)pyridine
CID 79689816
2-(4-tert-butyl-2-pyridinyl)-6-chloropyridine
CID 156780767
5-[(Z)-2-amino-3,3,3-trifluoroprop-1-enyl]-2-[5-(6-chloro-2-pyridinyl)-3-ethylsulfanyl-2-pyridinyl]-3-methylimidazol-4-amine
CID 135246404
1-[5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]methanimine
CID 158326180
2-(6-chloro-2-pyridinyl)-5-methyl-1,3,4-thiadiazole
CID 137347543
2-chloro-6-methylpyridine;hydrochloride
CID 22645126
2-[2-(3-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]acetic acid
CID 82061437
2-(2,4-dichlorophenyl)-3,5-dimethylpyridine
CID 12513322
1,3-bis(iodomethyl)-2-methylbenzene
CID 67628819
2-chloro-4-(6-chloro-2-pyridinyl)-1,3,5-triazine
CID 20763612
2-chloro-6-(iodomethyl)-4-methylpyridine
CID 89333781

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-pyridinyl)-3-(iodomethyl)-5-methylpyridine?
The IUPAC name of 2-(6-chloro-2-pyridinyl)-3-(iodomethyl)-5-methylpyridine (CID 146981349) is 2-(6-chloro-2-pyridinyl)-3-(iodomethyl)-5-methylpyridine.
What is the SMILES notation for 2-(6-chloro-2-pyridinyl)-3-(iodomethyl)-5-methylpyridine?
The canonical SMILES for 2-(6-chloro-2-pyridinyl)-3-(iodomethyl)-5-methylpyridine is Cc1cnc(-c2cccc(Cl)n2)c(CI)c1.
What is the InChIKey of 2-(6-chloro-2-pyridinyl)-3-(iodomethyl)-5-methylpyridine?
The InChIKey is AOJDRZNRRKRBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClIN2/c1-8-5-9(6-14)12(15-7-8)10-3-2-4-11(13)16-10/h2-5,7H,6H2,1H3.
What are the key properties of 2-(6-chloro-2-pyridinyl)-3-(iodomethyl)-5-methylpyridine?
2-(6-chloro-2-pyridinyl)-3-(iodomethyl)-5-methylpyridine has a molecular weight of 344.58 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-pyridinyl)-3-(iodomethyl)-5-methylpyridine is sourced from PubChem (CID 146981349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).