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

C7H5ClF3NO — CID 119010666

IUPAC2-chloro-3-(difluoromethyl)-4-fluoro-5-methoxypyridine
SMILESCOc1cnc(Cl)c(C(F)F)c1F
InChIInChI=1S/C7H5ClF3NO/c1-13-3-2-12-6(8)4(5(3)9)7(10)11/h2,7H,1H3
InChIKeyODKKHQXDJUSSDX-UHFFFAOYSA-N
MW211.57 g/mol
LogP2.82
Rot. Bonds2

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

2-chloro-3-(difluoromethyl)-4-fluoro-5-methoxypyridine (PubChem CID 119010666) has the molecular formula C7H5ClF3NO and a molecular weight of 211.57 g/mol. Its IUPAC name is 2-chloro-3-(difluoromethyl)-4-fluoro-5-methoxypyridine.

Molecular Properties

Compound Name2-chloro-3-(difluoromethyl)-4-fluoro-5-methoxypyridine
PubChem CID119010666
Molecular FormulaC7H5ClF3NO
Molecular Weight211.57 g/mol
Exact Mass211.00
IUPAC Name2-chloro-3-(difluoromethyl)-4-fluoro-5-methoxypyridine
SMILESCOc1cnc(Cl)c(C(F)F)c1F
InChIInChI=1S/C7H5ClF3NO/c1-13-3-2-12-6(8)4(5(3)9)7(10)11/h2,7H,1H3
InChIKeyODKKHQXDJUSSDX-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(difluoromethyl)-5-methoxypyridin-3-amine
CID 130102535
6-chloro-5-(difluoromethyl)-4-fluoropyridin-3-ol
CID 118998226
2-(difluoromethyl)-3,4-difluoro-5-methoxypyridine
CID 130099673
4-(difluoromethyl)-3-fluoro-5-methoxypyridin-2-amine
CID 118991384
2-chloro-3-fluoro-5-methoxypyridin-4-amine
CID 141356822
6-chloro-5-(difluoromethyl)-4-methoxypyridin-3-ol
CID 119013301
methyl 2-[3-(difluoromethyl)-4-fluoro-5-methoxy-2-pyridinyl]acetate
CID 133105586
2-(difluoromethyl)-4-fluoro-5-methoxy-3-methylpyridine
CID 130080514
2-(difluoromethyl)-4-fluoro-5-methoxypyridin-3-amine
CID 130103884
2-(difluoromethyl)-4-fluoro-5-methoxypyridin-3-ol
CID 130079248
2-chloro-4-(difluoromethyl)-3,5-difluoropyridine
CID 130099578
[6-chloro-5-(difluoromethyl)-4-methoxy-3-pyridinyl]methanamine
CID 130073732

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(difluoromethyl)-4-fluoro-5-methoxypyridine?
The IUPAC name of 2-chloro-3-(difluoromethyl)-4-fluoro-5-methoxypyridine (CID 119010666) is 2-chloro-3-(difluoromethyl)-4-fluoro-5-methoxypyridine.
What is the SMILES notation for 2-chloro-3-(difluoromethyl)-4-fluoro-5-methoxypyridine?
The canonical SMILES for 2-chloro-3-(difluoromethyl)-4-fluoro-5-methoxypyridine is COc1cnc(Cl)c(C(F)F)c1F.
What is the InChIKey of 2-chloro-3-(difluoromethyl)-4-fluoro-5-methoxypyridine?
The InChIKey is ODKKHQXDJUSSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO/c1-13-3-2-12-6(8)4(5(3)9)7(10)11/h2,7H,1H3.
What are the key properties of 2-chloro-3-(difluoromethyl)-4-fluoro-5-methoxypyridine?
2-chloro-3-(difluoromethyl)-4-fluoro-5-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 2-chloro-3-(difluoromethyl)-4-fluoro-5-methoxypyridine is sourced from PubChem (CID 119010666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).