2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methylpyridine

C8H7ClF2IN — CID 118837290

IUPAC2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methylpyridine
SMILESCc1c(C(F)F)cc(I)nc1CCl
InChIInChI=1S/C8H7ClF2IN/c1-4-5(8(10)11)2-7(12)13-6(4)3-9/h2,8H,3H2,1H3
InChIKeyNDUFQDZCMGNZQO-UHFFFAOYSA-N
MW317.50 g/mol
LogP3.67
Rot. Bonds2

About 2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methylpyridine

2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methylpyridine (PubChem CID 118837290) has the molecular formula C8H7ClF2IN and a molecular weight of 317.50 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methylpyridine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methylpyridine
PubChem CID118837290
Molecular FormulaC8H7ClF2IN
Molecular Weight317.50 g/mol
Exact Mass316.93
IUPAC Name2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methylpyridine
SMILESCc1c(C(F)F)cc(I)nc1CCl
InChIInChI=1S/C8H7ClF2IN/c1-4-5(8(10)11)2-7(12)13-6(4)3-9/h2,8H,3H2,1H3
InChIKeyNDUFQDZCMGNZQO-UHFFFAOYSA-N
XLogP3.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

2-(chloromethyl)-4-(difluoromethyl)-3-fluoro-6-iodopyridine
CID 118855239
2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methoxypyridine
CID 118809962
2-[4-(difluoromethyl)-6-iodo-3-methyl-2-pyridinyl]acetonitrile
CID 118823699
6-(chloromethyl)-4-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
CID 118838186
ethyl 2-[2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 133101084
2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-iodopyridine
CID 119013287
2-(bromomethyl)-6-chloro-4-(difluoromethyl)-3-methylpyridine
CID 130074151
4-(difluoromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine
CID 118851102
2-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-ol
CID 118808608
2-bromo-6-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine
CID 119010057
6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridin-2-amine
CID 119019561
2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridin-4-amine
CID 130106396

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methylpyridine?
The IUPAC name of 2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methylpyridine (CID 118837290) is 2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methylpyridine.
What is the SMILES notation for 2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methylpyridine?
The canonical SMILES for 2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methylpyridine is Cc1c(C(F)F)cc(I)nc1CCl.
What is the InChIKey of 2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methylpyridine?
The InChIKey is NDUFQDZCMGNZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2IN/c1-4-5(8(10)11)2-7(12)13-6(4)3-9/h2,8H,3H2,1H3.
What are the key properties of 2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methylpyridine?
2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methylpyridine has a molecular weight of 317.50 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methylpyridine is sourced from PubChem (CID 118837290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).