4-[5-(difluoromethoxy)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C14H9F3N2O2 — CID 168585905

IUPAC4-[5-(difluoromethoxy)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2cc(OC(F)F)ccc2F)c(C#N)c(=O)[nH]1
InChIInChI=1S/C14H9F3N2O2/c1-7-4-9(11(6-18)13(20)19-7)10-5-8(21-14(16)17)2-3-12(10)15/h2-5,14H,1H3,(H,19,20)
InChIKeyMHDWKVJMHGUZIO-UHFFFAOYSA-N
MW294.23 g/mol
LogP2.96
Rot. Bonds3

About 4-[5-(difluoromethoxy)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-[5-(difluoromethoxy)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168585905) has the molecular formula C14H9F3N2O2 and a molecular weight of 294.23 g/mol. Its IUPAC name is 4-[5-(difluoromethoxy)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[5-(difluoromethoxy)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168585905
Molecular FormulaC14H9F3N2O2
Molecular Weight294.23 g/mol
Exact Mass294.06
IUPAC Name4-[5-(difluoromethoxy)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2cc(OC(F)F)ccc2F)c(C#N)c(=O)[nH]1
InChIInChI=1S/C14H9F3N2O2/c1-7-4-9(11(6-18)13(20)19-7)10-5-8(21-14(16)17)2-3-12(10)15/h2-5,14H,1H3,(H,19,20)
InChIKeyMHDWKVJMHGUZIO-UHFFFAOYSA-N
XLogP2.96
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584801
4-(5-chloro-2-propan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587062
4-[2-(difluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585529
4-(3-fluoro-2-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585469
4-[6-fluoro-2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585510
4-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586138
4-[2,4-difluoro-5-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585524
4-(4-fluoro-1H-indol-7-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585590
4-[3-(2-fluorophenyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584670
4-(4-butan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585236
4-(2-chloro-5-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587175
4-(2-bromo-4-fluoro-5-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587182

Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethoxy)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-[5-(difluoromethoxy)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168585905) is 4-[5-(difluoromethoxy)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-[5-(difluoromethoxy)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-[5-(difluoromethoxy)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2cc(OC(F)F)ccc2F)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-[5-(difluoromethoxy)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is MHDWKVJMHGUZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O2/c1-7-4-9(11(6-18)13(20)19-7)10-5-8(21-14(16)17)2-3-12(10)15/h2-5,14H,1H3,(H,19,20).
What are the key properties of 4-[5-(difluoromethoxy)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-[5-(difluoromethoxy)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 294.23 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(difluoromethoxy)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168585905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).