methyl 3-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate

C10H8F2N2O3 — CID 134676477

IUPACmethyl 3-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(OC)cc(C(F)F)c1C#N
InChIInChI=1S/C10H8F2N2O3/c1-16-7-3-5(9(11)12)6(4-13)8(14-7)10(15)17-2/h3,9H,1-2H3
InChIKeyJKBLZMLMSIJNKO-UHFFFAOYSA-N
MW242.18 g/mol
LogP1.69
Rot. Bonds3

About methyl 3-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate

methyl 3-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate (PubChem CID 134676477) has the molecular formula C10H8F2N2O3 and a molecular weight of 242.18 g/mol. Its IUPAC name is methyl 3-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate
PubChem CID134676477
Molecular FormulaC10H8F2N2O3
Molecular Weight242.18 g/mol
Exact Mass242.05
IUPAC Namemethyl 3-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(OC)cc(C(F)F)c1C#N
InChIInChI=1S/C10H8F2N2O3/c1-16-7-3-5(9(11)12)6(4-13)8(14-7)10(15)17-2/h3,9H,1-2H3
InChIKeyJKBLZMLMSIJNKO-UHFFFAOYSA-N
XLogP1.69
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.18
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-cyano-3-(difluoromethyl)-5-methoxybenzoate
CID 134646931
methyl 6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate
CID 134671057
methyl 2-cyano-3-(difluoromethyl)-5-hydroxybenzoate
CID 131334678
ethyl 6-chloro-3-cyano-4-(difluoromethyl)pyridine-2-carboxylate
CID 134674106
ethyl 6-(chloromethyl)-3-cyano-4-(difluoromethyl)pyridine-2-carboxylate
CID 133106560
methyl 3-cyano-4,6-dimethylpyridine-2-carboxylate
CID 130298670
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbonyl chloride
CID 118835181
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carboxamide
CID 118840796
4-(difluoromethyl)-3-hydroxy-6-methoxypyridine-2-carboxamide
CID 118829275
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbonitrile
CID 130077872
methyl 6-cyano-5-(difluoromethyl)-3-nitropyridine-2-carboxylate
CID 133107481
methyl 3-(difluoromethyl)-6-methoxy-4-nitropyridine-2-carboxylate
CID 133099851

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate?
The IUPAC name of methyl 3-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate (CID 134676477) is methyl 3-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate.
What is the SMILES notation for methyl 3-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate?
The canonical SMILES for methyl 3-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate is COC(=O)c1nc(OC)cc(C(F)F)c1C#N.
What is the InChIKey of methyl 3-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate?
The InChIKey is JKBLZMLMSIJNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O3/c1-16-7-3-5(9(11)12)6(4-13)8(14-7)10(15)17-2/h3,9H,1-2H3.
What are the key properties of methyl 3-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate?
methyl 3-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate has a molecular weight of 242.18 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate is sourced from PubChem (CID 134676477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).