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

C9H7F2N3O2 — CID 130103675

IUPACmethyl 4-amino-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(N)cc(C(F)F)nc1C#N
InChIInChI=1S/C9H7F2N3O2/c1-16-9(15)7-4(13)2-5(8(10)11)14-6(7)3-12/h2,8H,1H3,(H2,13,14)
InChIKeyMSIRVKSQLLEYKA-UHFFFAOYSA-N
MW227.17 g/mol
LogP1.26
Rot. Bonds2

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

methyl 4-amino-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate (PubChem CID 130103675) has the molecular formula C9H7F2N3O2 and a molecular weight of 227.17 g/mol. Its IUPAC name is methyl 4-amino-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
PubChem CID130103675
Molecular FormulaC9H7F2N3O2
Molecular Weight227.17 g/mol
Exact Mass227.05
IUPAC Namemethyl 4-amino-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(N)cc(C(F)F)nc1C#N
InChIInChI=1S/C9H7F2N3O2/c1-16-9(15)7-4(13)2-5(8(10)11)14-6(7)3-12/h2,8H,1H3,(H2,13,14)
InChIKeyMSIRVKSQLLEYKA-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 4-chloro-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 130071382
methyl 4-cyano-6-(difluoromethyl)-2-fluoropyridine-3-carboxylate
CID 134686496
methyl 4-amino-2-cyanopyridine-3-carboxylate
CID 130935671
ethyl 4-(aminomethyl)-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 134686539
methyl 4-amino-6-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 130104973
methyl 2-amino-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate
CID 130103649
4-amino-6-(difluoromethyl)-2-methoxypyridine-3-carboxylic acid
CID 118845538
methyl 2-[2-cyano-6-(difluoromethyl)-3-(trifluoromethyl)-4-pyridinyl]acetate
CID 133106141
ethyl 3-chloro-2-cyano-6-(difluoromethyl)pyridine-4-carboxylate
CID 134674109
methyl 2-amino-6-cyano-4-(difluoromethoxy)benzoate
CID 171023609
6-(difluoromethyl)-3-hydroxy-4-methoxypyridine-2-carbonitrile
CID 130076438
methyl 2-[4-(bromomethyl)-2-cyano-6-(difluoromethyl)-3-pyridinyl]acetate
CID 133106654

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 4-amino-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate (CID 130103675) is methyl 4-amino-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-amino-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 4-amino-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate is COC(=O)c1c(N)cc(C(F)F)nc1C#N.
What is the InChIKey of methyl 4-amino-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate?
The InChIKey is MSIRVKSQLLEYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3O2/c1-16-9(15)7-4(13)2-5(8(10)11)14-6(7)3-12/h2,8H,1H3,(H2,13,14).
What are the key properties of methyl 4-amino-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate?
methyl 4-amino-2-cyano-6-(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 4-amino-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 130103675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).