4-(chloromethyl)-3-(difluoromethyl)-2-fluoro-5-methylpyridine

C8H7ClF3N — CID 130081038

IUPAC4-(chloromethyl)-3-(difluoromethyl)-2-fluoro-5-methylpyridine
SMILESCc1cnc(F)c(C(F)F)c1CCl
InChIInChI=1S/C8H7ClF3N/c1-4-3-13-8(12)6(7(10)11)5(4)2-9/h3,7H,2H2,1H3
InChIKeyWXAQYBRMYIECIV-UHFFFAOYSA-N
MW209.60 g/mol
LogP3.21
Rot. Bonds2

About 4-(chloromethyl)-3-(difluoromethyl)-2-fluoro-5-methylpyridine

4-(chloromethyl)-3-(difluoromethyl)-2-fluoro-5-methylpyridine (PubChem CID 130081038) has the molecular formula C8H7ClF3N and a molecular weight of 209.60 g/mol. Its IUPAC name is 4-(chloromethyl)-3-(difluoromethyl)-2-fluoro-5-methylpyridine.

Molecular Properties

Compound Name4-(chloromethyl)-3-(difluoromethyl)-2-fluoro-5-methylpyridine
PubChem CID130081038
Molecular FormulaC8H7ClF3N
Molecular Weight209.60 g/mol
Exact Mass209.02
IUPAC Name4-(chloromethyl)-3-(difluoromethyl)-2-fluoro-5-methylpyridine
SMILESCc1cnc(F)c(C(F)F)c1CCl
InChIInChI=1S/C8H7ClF3N/c1-4-3-13-8(12)6(7(10)11)5(4)2-9/h3,7H,2H2,1H3
InChIKeyWXAQYBRMYIECIV-UHFFFAOYSA-N
XLogP3.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.60
LogP ≤ 53.21
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'}

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Related Compounds

2-[3-(difluoromethyl)-2-fluoro-5-methyl-4-pyridinyl]acetonitrile
CID 130081059
2-[4-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetonitrile
CID 130090393
4-chloro-5-(chloromethyl)-3-(difluoromethyl)-2-fluoropyridine
CID 130071815
4-(difluoromethyl)-2-fluoro-3-iodo-5-methylpyridine
CID 118840077
[5-chloro-3-(difluoromethyl)-2-fluoro-4-pyridinyl]methanamine
CID 130071715
2-[3-(difluoromethyl)-2,5-difluoro-4-pyridinyl]acetonitrile
CID 130099807
4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridin-3-amine
CID 130106383
3-(chloromethyl)-2-(difluoromethyl)-5-methylpyridin-4-amine
CID 130106398
2-[5-(chloromethyl)-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
CID 130090374
4-(cyanomethyl)-5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 134675025
[3-(difluoromethyl)-2-fluoro-5-methoxy-4-pyridinyl]methanamine
CID 118841033
5-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-methoxypyridine
CID 130080683

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3-(difluoromethyl)-2-fluoro-5-methylpyridine?
The IUPAC name of 4-(chloromethyl)-3-(difluoromethyl)-2-fluoro-5-methylpyridine (CID 130081038) is 4-(chloromethyl)-3-(difluoromethyl)-2-fluoro-5-methylpyridine.
What is the SMILES notation for 4-(chloromethyl)-3-(difluoromethyl)-2-fluoro-5-methylpyridine?
The canonical SMILES for 4-(chloromethyl)-3-(difluoromethyl)-2-fluoro-5-methylpyridine is Cc1cnc(F)c(C(F)F)c1CCl.
What is the InChIKey of 4-(chloromethyl)-3-(difluoromethyl)-2-fluoro-5-methylpyridine?
The InChIKey is WXAQYBRMYIECIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N/c1-4-3-13-8(12)6(7(10)11)5(4)2-9/h3,7H,2H2,1H3.
What are the key properties of 4-(chloromethyl)-3-(difluoromethyl)-2-fluoro-5-methylpyridine?
4-(chloromethyl)-3-(difluoromethyl)-2-fluoro-5-methylpyridine has a molecular weight of 209.60 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3-(difluoromethyl)-2-fluoro-5-methylpyridine is sourced from PubChem (CID 130081038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).