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

C8H8ClF2NO — CID 130073666

IUPAC3-chloro-4-(difluoromethyl)-2-methoxy-5-methylpyridine
SMILESCOc1ncc(C)c(C(F)F)c1Cl
InChIInChI=1S/C8H8ClF2NO/c1-4-3-12-8(13-2)6(9)5(4)7(10)11/h3,7H,1-2H3
InChIKeyVWABLZAJOXHGBV-UHFFFAOYSA-N
MW207.61 g/mol
LogP2.99
Rot. Bonds2

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

3-chloro-4-(difluoromethyl)-2-methoxy-5-methylpyridine (PubChem CID 130073666) has the molecular formula C8H8ClF2NO and a molecular weight of 207.61 g/mol. Its IUPAC name is 3-chloro-4-(difluoromethyl)-2-methoxy-5-methylpyridine.

Molecular Properties

Compound Name3-chloro-4-(difluoromethyl)-2-methoxy-5-methylpyridine
PubChem CID130073666
Molecular FormulaC8H8ClF2NO
Molecular Weight207.61 g/mol
Exact Mass207.03
IUPAC Name3-chloro-4-(difluoromethyl)-2-methoxy-5-methylpyridine
SMILESCOc1ncc(C)c(C(F)F)c1Cl
InChIInChI=1S/C8H8ClF2NO/c1-4-3-12-8(13-2)6(9)5(4)7(10)11/h3,7H,1-2H3
InChIKeyVWABLZAJOXHGBV-UHFFFAOYSA-N
XLogP2.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.61
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-4-(difluoromethyl)-2-methoxypyridine
CID 130099252
3-chloro-4-(difluoromethyl)-5-fluoro-2-methoxypyridine
CID 130071589
3,4-dichloro-5-(difluoromethyl)-2-methoxypyridine
CID 130099248
4-bromo-3-(difluoromethyl)-2-methoxy-5-methylpyridine
CID 118817420
3-chloro-4-(difluoromethyl)-2-methoxy-5-nitropyridine
CID 134686343
3-chloro-5-(difluoromethyl)-2,4-dimethoxypyridine
CID 130100817
methyl 2-[5-chloro-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134663537
3-(difluoromethyl)-2-methoxy-5-methylpyridine-4-sulfonyl chloride
CID 130088007
5-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 130087871
[4-chloro-5-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine
CID 130073716
4-(difluoromethyl)-6-methoxy-5-methylpyridine-3-carbonyl chloride
CID 133099697
4-(difluoromethyl)-2-methoxy-3-methyl-5-(trifluoromethyl)pyridine
CID 118835037

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(difluoromethyl)-2-methoxy-5-methylpyridine?
The IUPAC name of 3-chloro-4-(difluoromethyl)-2-methoxy-5-methylpyridine (CID 130073666) is 3-chloro-4-(difluoromethyl)-2-methoxy-5-methylpyridine.
What is the SMILES notation for 3-chloro-4-(difluoromethyl)-2-methoxy-5-methylpyridine?
The canonical SMILES for 3-chloro-4-(difluoromethyl)-2-methoxy-5-methylpyridine is COc1ncc(C)c(C(F)F)c1Cl.
What is the InChIKey of 3-chloro-4-(difluoromethyl)-2-methoxy-5-methylpyridine?
The InChIKey is VWABLZAJOXHGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO/c1-4-3-12-8(13-2)6(9)5(4)7(10)11/h3,7H,1-2H3.
What are the key properties of 3-chloro-4-(difluoromethyl)-2-methoxy-5-methylpyridine?
3-chloro-4-(difluoromethyl)-2-methoxy-5-methylpyridine has a molecular weight of 207.61 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(difluoromethyl)-2-methoxy-5-methylpyridine is sourced from PubChem (CID 130073666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).