methyl 5-amino-4-cyano-6-(difluoromethyl)pyridine-2-carboxylate

C9H7F2N3O2 — CID 130103660

IUPACmethyl 5-amino-4-cyano-6-(difluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(C#N)c(N)c(C(F)F)n1
InChIInChI=1S/C9H7F2N3O2/c1-16-9(15)5-2-4(3-12)6(13)7(14-5)8(10)11/h2,8H,13H2,1H3
InChIKeyBBXIHKBGHYLJJJ-UHFFFAOYSA-N
MW227.17 g/mol
LogP1.26
Rot. Bonds2

About methyl 5-amino-4-cyano-6-(difluoromethyl)pyridine-2-carboxylate

methyl 5-amino-4-cyano-6-(difluoromethyl)pyridine-2-carboxylate (PubChem CID 130103660) has the molecular formula C9H7F2N3O2 and a molecular weight of 227.17 g/mol. Its IUPAC name is methyl 5-amino-4-cyano-6-(difluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-4-cyano-6-(difluoromethyl)pyridine-2-carboxylate
PubChem CID130103660
Molecular FormulaC9H7F2N3O2
Molecular Weight227.17 g/mol
Exact Mass227.05
IUPAC Namemethyl 5-amino-4-cyano-6-(difluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(C#N)c(N)c(C(F)F)n1
InChIInChI=1S/C9H7F2N3O2/c1-16-9(15)5-2-4(3-12)6(13)7(14-5)8(10)11/h2,8H,13H2,1H3
InChIKeyBBXIHKBGHYLJJJ-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

Analyze methyl 5-amino-4-cyano-6-(difluoromethyl)pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-amino-4-cyano-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 133097018
methyl 4-cyano-5-(difluoromethyl)-6-methylpyridine-2-carboxylate
CID 134661234
methyl 4-amino-6-(difluoromethyl)-5-methylpyridine-2-carboxylate
CID 130106624
methyl 6-amino-4-cyano-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 133096930
ethyl 4-cyano-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 133106328
methyl 2-chloro-5-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 130071371
methyl 4-cyano-2-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 130077676
methyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 133085156
methyl 6-(difluoromethyl)-5-iodo-4-methylpyridine-2-carboxylate
CID 130086259
4-cyano-6-(difluoromethyl)-5-methylpyridine-2-carbonyl chloride
CID 134685969
methyl 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate
CID 130108323
methyl 4-chloro-6-(difluoromethyl)-5-nitropyridine-2-carboxylate
CID 134677721

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-4-cyano-6-(difluoromethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-4-cyano-6-(difluoromethyl)pyridine-2-carboxylate (CID 130103660) is methyl 5-amino-4-cyano-6-(difluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-4-cyano-6-(difluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-4-cyano-6-(difluoromethyl)pyridine-2-carboxylate is COC(=O)c1cc(C#N)c(N)c(C(F)F)n1.
What is the InChIKey of methyl 5-amino-4-cyano-6-(difluoromethyl)pyridine-2-carboxylate?
The InChIKey is BBXIHKBGHYLJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3O2/c1-16-9(15)5-2-4(3-12)6(13)7(14-5)8(10)11/h2,8H,13H2,1H3.
What are the key properties of methyl 5-amino-4-cyano-6-(difluoromethyl)pyridine-2-carboxylate?
methyl 5-amino-4-cyano-6-(difluoromethyl)pyridine-2-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 5-amino-4-cyano-6-(difluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 130103660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).