methyl 2-amino-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate

C9H7F2N3O2 — CID 130103649

IUPACmethyl 2-amino-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(C(F)F)cc(C#N)nc1N
InChIInChI=1S/C9H7F2N3O2/c1-16-9(15)6-5(7(10)11)2-4(3-12)14-8(6)13/h2,7H,1H3,(H2,13,14)
InChIKeyBCOHANPLBPCICC-UHFFFAOYSA-N
MW227.17 g/mol
LogP1.26
Rot. Bonds2

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

methyl 2-amino-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate (PubChem CID 130103649) has the molecular formula C9H7F2N3O2 and a molecular weight of 227.17 g/mol. Its IUPAC name is methyl 2-amino-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate
PubChem CID130103649
Molecular FormulaC9H7F2N3O2
Molecular Weight227.17 g/mol
Exact Mass227.05
IUPAC Namemethyl 2-amino-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(C(F)F)cc(C#N)nc1N
InChIInChI=1S/C9H7F2N3O2/c1-16-9(15)6-5(7(10)11)2-4(3-12)14-8(6)13/h2,7H,1H3,(H2,13,14)
InChIKeyBCOHANPLBPCICC-UHFFFAOYSA-N
XLogP1.26
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2,6-diamino-4-(difluoromethyl)pyridine-3-carboxylate
CID 134669150
methyl 6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate
CID 134671057
methyl 2-amino-4-(difluoromethyl)-6-nitropyridine-3-carboxylate
CID 134663964
methyl 6-cyano-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 134664321
methyl 4-(aminomethyl)-6-cyano-2-(difluoromethyl)pyridine-3-carboxylate
CID 133107066
methyl 2-[2-bromo-6-cyano-4-(difluoromethyl)-3-pyridinyl]acetate
CID 171029556
ethyl 2-(chloromethyl)-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate
CID 133107022
methyl 4-amino-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 130103675
methyl 6-cyano-3-(difluoromethyl)-4-methylpyridine-2-carboxylate
CID 133107578
methyl 2,6-dibromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 134676395
methyl 2,4-diamino-5-(difluoromethyl)pyridine-3-carboxylate
CID 134683512
methyl 2-amino-5-(difluoromethyl)-3-methylpyridine-4-carboxylate
CID 130106593

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate (CID 130103649) is methyl 2-amino-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate is COC(=O)c1c(C(F)F)cc(C#N)nc1N.
What is the InChIKey of methyl 2-amino-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate?
The InChIKey is BCOHANPLBPCICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3O2/c1-16-9(15)6-5(7(10)11)2-4(3-12)14-8(6)13/h2,7H,1H3,(H2,13,14).
What are the key properties of methyl 2-amino-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate?
methyl 2-amino-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate has a molecular weight of 227.17 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 130103649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).