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

C8H7ClF3NO — CID 130080662

IUPAC2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-4-methoxypyridine
SMILESCOc1c(C(F)F)cnc(CCl)c1F
InChIInChI=1S/C8H7ClF3NO/c1-14-7-4(8(11)12)3-13-5(2-9)6(7)10/h3,8H,2H2,1H3
InChIKeyGJEFOKFYCYGYTK-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.91
Rot. Bonds3

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

2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-4-methoxypyridine (PubChem CID 130080662) has the molecular formula C8H7ClF3NO and a molecular weight of 225.60 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-4-methoxypyridine.

Molecular Properties

Compound Name2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-4-methoxypyridine
PubChem CID130080662
Molecular FormulaC8H7ClF3NO
Molecular Weight225.60 g/mol
Exact Mass225.02
IUPAC Name2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-4-methoxypyridine
SMILESCOc1c(C(F)F)cnc(CCl)c1F
InChIInChI=1S/C8H7ClF3NO/c1-14-7-4(8(11)12)3-13-5(2-9)6(7)10/h3,8H,2H2,1H3
InChIKeyGJEFOKFYCYGYTK-UHFFFAOYSA-N
XLogP2.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[5-(difluoromethyl)-3-fluoro-4-methoxy-2-pyridinyl]acetate
CID 133105735
[3-chloro-5-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol
CID 130073890
2-(chloromethyl)-4-(difluoromethyl)-3,5-dimethoxypyridine
CID 118854941
2-[3-(chloromethyl)-5-(difluoromethyl)-4-methoxy-2-pyridinyl]acetic acid
CID 133099654
5-(difluoromethyl)-3-fluoro-4-methoxypyridine-2-carbonyl chloride
CID 133105414
2-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 130076122
2-[4-(chloromethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid
CID 133099810
2-[5-(difluoromethyl)-3,4-dimethoxy-2-pyridinyl]acetonitrile
CID 134672413
2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methoxypyridine
CID 118809962
2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-4-nitropyridine
CID 118827149
ethyl 2-[2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-4-pyridinyl]acetate
CID 133104197
2-(chloromethyl)-5-(difluoromethyl)-4-methylpyridin-3-ol
CID 118809945

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-4-methoxypyridine?
The IUPAC name of 2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-4-methoxypyridine (CID 130080662) is 2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-4-methoxypyridine.
What is the SMILES notation for 2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-4-methoxypyridine?
The canonical SMILES for 2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-4-methoxypyridine is COc1c(C(F)F)cnc(CCl)c1F.
What is the InChIKey of 2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-4-methoxypyridine?
The InChIKey is GJEFOKFYCYGYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO/c1-14-7-4(8(11)12)3-13-5(2-9)6(7)10/h3,8H,2H2,1H3.
What are the key properties of 2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-4-methoxypyridine?
2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-4-methoxypyridine has a molecular weight of 225.60 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-4-methoxypyridine is sourced from PubChem (CID 130080662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).