4-chloro-3-(difluoromethyl)-2-iodo-5-methylpyridine

C7H5ClF2IN — CID 118822414

IUPAC4-chloro-3-(difluoromethyl)-2-iodo-5-methylpyridine
SMILESCc1cnc(I)c(C(F)F)c1Cl
InChIInChI=1S/C7H5ClF2IN/c1-3-2-12-7(11)4(5(3)8)6(9)10/h2,6H,1H3
InChIKeyWCQBHLWSCHTZRD-UHFFFAOYSA-N
MW303.48 g/mol
LogP3.59
Rot. Bonds1

About 4-chloro-3-(difluoromethyl)-2-iodo-5-methylpyridine

4-chloro-3-(difluoromethyl)-2-iodo-5-methylpyridine (PubChem CID 118822414) has the molecular formula C7H5ClF2IN and a molecular weight of 303.48 g/mol. Its IUPAC name is 4-chloro-3-(difluoromethyl)-2-iodo-5-methylpyridine.

Molecular Properties

Compound Name4-chloro-3-(difluoromethyl)-2-iodo-5-methylpyridine
PubChem CID118822414
Molecular FormulaC7H5ClF2IN
Molecular Weight303.48 g/mol
Exact Mass302.91
IUPAC Name4-chloro-3-(difluoromethyl)-2-iodo-5-methylpyridine
SMILESCc1cnc(I)c(C(F)F)c1Cl
InChIInChI=1S/C7H5ClF2IN/c1-3-2-12-7(11)4(5(3)8)6(9)10/h2,6H,1H3
InChIKeyWCQBHLWSCHTZRD-UHFFFAOYSA-N
XLogP3.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-chloro-3-(difluoromethyl)-2-iodo-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

4-(difluoromethyl)-2-fluoro-3-iodo-5-methylpyridine
CID 118840077
[4-(difluoromethyl)-2-iodo-5-methyl-3-pyridinyl]methanamine
CID 130085961
5-chloro-4-(difluoromethyl)-2,3-diiodopyridine
CID 130100430
3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-iodopyridine
CID 130073184
3-chloro-4-(difluoromethyl)-2-methoxy-5-methylpyridine
CID 130073666
3-chloro-5-(difluoromethyl)-2-iodopyridin-4-amine
CID 118829021
[5-(difluoromethyl)-6-iodo-4-methyl-3-pyridinyl]methanol
CID 130086167
3-(difluoromethyl)-2,5-diiodo-4-methoxypyridine
CID 130100515
5-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridin-3-amine
CID 130105403
3-chloro-5-(difluoromethyl)-2-iodo-4-methoxypyridine
CID 130072984
ethyl 2-[5-chloro-3-(difluoromethyl)-2-iodo-4-pyridinyl]acetate
CID 134673858
2-[5-chloro-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetonitrile
CID 130073247

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(difluoromethyl)-2-iodo-5-methylpyridine?
The IUPAC name of 4-chloro-3-(difluoromethyl)-2-iodo-5-methylpyridine (CID 118822414) is 4-chloro-3-(difluoromethyl)-2-iodo-5-methylpyridine.
What is the SMILES notation for 4-chloro-3-(difluoromethyl)-2-iodo-5-methylpyridine?
The canonical SMILES for 4-chloro-3-(difluoromethyl)-2-iodo-5-methylpyridine is Cc1cnc(I)c(C(F)F)c1Cl.
What is the InChIKey of 4-chloro-3-(difluoromethyl)-2-iodo-5-methylpyridine?
The InChIKey is WCQBHLWSCHTZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2IN/c1-3-2-12-7(11)4(5(3)8)6(9)10/h2,6H,1H3.
What are the key properties of 4-chloro-3-(difluoromethyl)-2-iodo-5-methylpyridine?
4-chloro-3-(difluoromethyl)-2-iodo-5-methylpyridine has a molecular weight of 303.48 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(difluoromethyl)-2-iodo-5-methylpyridine is sourced from PubChem (CID 118822414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).