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

C10H8F2N2O3 — CID 134671057

IUPACmethyl 6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(C#N)cc(C(F)F)c1OC
InChIInChI=1S/C10H8F2N2O3/c1-16-8-6(9(11)12)3-5(4-13)14-7(8)10(15)17-2/h3,9H,1-2H3
InChIKeySQMKEQMMILSMGW-UHFFFAOYSA-N
MW242.18 g/mol
LogP1.69
Rot. Bonds3

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

methyl 6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate (PubChem CID 134671057) has the molecular formula C10H8F2N2O3 and a molecular weight of 242.18 g/mol. Its IUPAC name is methyl 6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate
PubChem CID134671057
Molecular FormulaC10H8F2N2O3
Molecular Weight242.18 g/mol
Exact Mass242.05
IUPAC Namemethyl 6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(C#N)cc(C(F)F)c1OC
InChIInChI=1S/C10H8F2N2O3/c1-16-8-6(9(11)12)3-5(4-13)14-7(8)10(15)17-2/h3,9H,1-2H3
InChIKeySQMKEQMMILSMGW-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 6-cyano-3-(difluoromethyl)-4-methylpyridine-2-carboxylate
CID 133107578
methyl 2-amino-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate
CID 130103649
methyl 3-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate
CID 134676477
6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-sulfonamide
CID 134664686
methyl 6-cyano-5-(difluoromethyl)-3-nitropyridine-2-carboxylate
CID 133107481
methyl 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylate
CID 134669232
methyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 134669578
methyl 6-cyano-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 134664321
methyl 2-[2-bromo-6-cyano-4-(difluoromethyl)-3-pyridinyl]acetate
CID 171029556
methyl 2-[6-cyano-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate
CID 134684119
6-cyano-2-(difluoromethyl)-3-methoxypyridine-4-carbonyl chloride
CID 134685892
ethyl 6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate
CID 134671675

Frequently Asked Questions

What is the IUPAC name of methyl 6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate?
The IUPAC name of methyl 6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate (CID 134671057) is methyl 6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate.
What is the SMILES notation for methyl 6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate?
The canonical SMILES for methyl 6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate is COC(=O)c1nc(C#N)cc(C(F)F)c1OC.
What is the InChIKey of methyl 6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate?
The InChIKey is SQMKEQMMILSMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O3/c1-16-8-6(9(11)12)3-5(4-13)14-7(8)10(15)17-2/h3,9H,1-2H3.
What are the key properties of methyl 6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate?
methyl 6-cyano-4-(difluoromethyl)-3-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 6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate is sourced from PubChem (CID 134671057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).