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

C7H5ClF3NO — CID 130071589

IUPAC3-chloro-4-(difluoromethyl)-5-fluoro-2-methoxypyridine
SMILESCOc1ncc(F)c(C(F)F)c1Cl
InChIInChI=1S/C7H5ClF3NO/c1-13-7-5(8)4(6(10)11)3(9)2-12-7/h2,6H,1H3
InChIKeyNQQUXAXPGORZTF-UHFFFAOYSA-N
MW211.57 g/mol
LogP2.82
Rot. Bonds2

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

3-chloro-4-(difluoromethyl)-5-fluoro-2-methoxypyridine (PubChem CID 130071589) has the molecular formula C7H5ClF3NO and a molecular weight of 211.57 g/mol. Its IUPAC name is 3-chloro-4-(difluoromethyl)-5-fluoro-2-methoxypyridine.

Molecular Properties

Compound Name3-chloro-4-(difluoromethyl)-5-fluoro-2-methoxypyridine
PubChem CID130071589
Molecular FormulaC7H5ClF3NO
Molecular Weight211.57 g/mol
Exact Mass211.00
IUPAC Name3-chloro-4-(difluoromethyl)-5-fluoro-2-methoxypyridine
SMILESCOc1ncc(F)c(C(F)F)c1Cl
InChIInChI=1S/C7H5ClF3NO/c1-13-7-5(8)4(6(10)11)3(9)2-12-7/h2,6H,1H3
InChIKeyNQQUXAXPGORZTF-UHFFFAOYSA-N
XLogP2.82
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.57
LogP ≤ 52.82
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)-2-methoxy-5-methylpyridine
CID 130073666
3,4-dichloro-5-(difluoromethyl)-2-methoxypyridine
CID 130099248
3-(bromomethyl)-4-(difluoromethyl)-5-fluoro-2-methoxypyridine
CID 130080624
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
methyl 4-(difluoromethyl)-5-fluoro-2-methoxypyridine-3-carboxylate
CID 133105528
[4-chloro-5-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine
CID 130073716
2-chloro-4-(difluoromethyl)-3,5-difluoropyridine
CID 130099578
5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridin-3-ol
CID 130083299
4-(chloromethyl)-3-(difluoromethyl)-2,5-dimethoxypyridine
CID 130100950

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(difluoromethyl)-5-fluoro-2-methoxypyridine?
The IUPAC name of 3-chloro-4-(difluoromethyl)-5-fluoro-2-methoxypyridine (CID 130071589) is 3-chloro-4-(difluoromethyl)-5-fluoro-2-methoxypyridine.
What is the SMILES notation for 3-chloro-4-(difluoromethyl)-5-fluoro-2-methoxypyridine?
The canonical SMILES for 3-chloro-4-(difluoromethyl)-5-fluoro-2-methoxypyridine is COc1ncc(F)c(C(F)F)c1Cl.
What is the InChIKey of 3-chloro-4-(difluoromethyl)-5-fluoro-2-methoxypyridine?
The InChIKey is NQQUXAXPGORZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO/c1-13-7-5(8)4(6(10)11)3(9)2-12-7/h2,6H,1H3.
What are the key properties of 3-chloro-4-(difluoromethyl)-5-fluoro-2-methoxypyridine?
3-chloro-4-(difluoromethyl)-5-fluoro-2-methoxypyridine has a molecular weight of 211.57 g/mol, XLogP of 2.82, 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)-5-fluoro-2-methoxypyridine is sourced from PubChem (CID 130071589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).