2-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-4-one

C7H6ClF2NO2 — CID 130072270

IUPAC2-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-4-one
SMILESCOc1cc(=O)c(C(F)F)c(Cl)[nH]1
InChIInChI=1S/C7H6ClF2NO2/c1-13-4-2-3(12)5(7(9)10)6(8)11-4/h2,7H,1H3,(H,11,12)
InChIKeyBRJYXMLDVANWDN-UHFFFAOYSA-N
MW209.58 g/mol
LogP1.97
Rot. Bonds2

About 2-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-4-one

2-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-4-one (PubChem CID 130072270) has the molecular formula C7H6ClF2NO2 and a molecular weight of 209.58 g/mol. Its IUPAC name is 2-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-4-one
PubChem CID130072270
Molecular FormulaC7H6ClF2NO2
Molecular Weight209.58 g/mol
Exact Mass209.01
IUPAC Name2-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-4-one
SMILESCOc1cc(=O)c(C(F)F)c(Cl)[nH]1
InChIInChI=1S/C7H6ClF2NO2/c1-13-4-2-3(12)5(7(9)10)6(8)11-4/h2,7H,1H3,(H,11,12)
InChIKeyBRJYXMLDVANWDN-UHFFFAOYSA-N
XLogP1.97
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.58
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-2-one
CID 118799845
2-[3-(difluoromethyl)-6-methoxy-4-oxo-1H-pyridin-2-yl]acetic acid
CID 133103454
2-(difluoromethyl)-3-iodo-6-methoxy-1H-pyridin-4-one
CID 118826395
3-(difluoromethyl)-2-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one
CID 130083350
3-chloro-6-(difluoromethyl)-2-methoxy-1H-pyridin-4-one
CID 130072304
3-(difluoromethyl)-6-iodo-2-methoxy-1H-pyridin-4-one
CID 130082494
2-[3-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 130083383
3,5-dichloro-4-(difluoromethyl)-2-methoxypyridine
CID 130099252
3-chloro-4-(difluoromethyl)-2-methoxy-5-methylpyridine
CID 130073666
6-(chloromethyl)-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one
CID 130083739
2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
CID 119010938
methyl 5-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-2-carboxylate
CID 130082917

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-4-one?
The IUPAC name of 2-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-4-one (CID 130072270) is 2-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-4-one?
The canonical SMILES for 2-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-4-one is COc1cc(=O)c(C(F)F)c(Cl)[nH]1.
What is the InChIKey of 2-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-4-one?
The InChIKey is BRJYXMLDVANWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2NO2/c1-13-4-2-3(12)5(7(9)10)6(8)11-4/h2,7H,1H3,(H,11,12).
What are the key properties of 2-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-4-one?
2-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-4-one has a molecular weight of 209.58 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 130072270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).