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

C14H11FN4O2 — CID 114407384

IUPACmethyl 5-amino-6-(2-cyano-4-fluoroanilino)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Nc2ccc(F)cc2C#N)n1
InChIInChI=1S/C14H11FN4O2/c1-21-14(20)12-5-3-10(17)13(19-12)18-11-4-2-9(15)6-8(11)7-16/h2-6H,17H2,1H3,(H,18,19)
InChIKeyIBHKBXUZKMMHAC-UHFFFAOYSA-N
MW286.27 g/mol
LogP2.20
Rot. Bonds3

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

methyl 5-amino-6-(2-cyano-4-fluoroanilino)pyridine-2-carboxylate (PubChem CID 114407384) has the molecular formula C14H11FN4O2 and a molecular weight of 286.27 g/mol. Its IUPAC name is methyl 5-amino-6-(2-cyano-4-fluoroanilino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-(2-cyano-4-fluoroanilino)pyridine-2-carboxylate
PubChem CID114407384
Molecular FormulaC14H11FN4O2
Molecular Weight286.27 g/mol
Exact Mass286.09
IUPAC Namemethyl 5-amino-6-(2-cyano-4-fluoroanilino)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Nc2ccc(F)cc2C#N)n1
InChIInChI=1S/C14H11FN4O2/c1-21-14(20)12-5-3-10(17)13(19-12)18-11-4-2-9(15)6-8(11)7-16/h2-6H,17H2,1H3,(H,18,19)
InChIKeyIBHKBXUZKMMHAC-UHFFFAOYSA-N
XLogP2.20
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-6-(4-fluoro-2-iodoanilino)pyridine-2-carboxylate
CID 114407006
methyl 5-amino-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylate
CID 107531028
methyl 5-amino-6-(2-bromo-4-cyanoanilino)pyridine-2-carboxylate
CID 107793040
methyl 4-chloro-2-(2-cyano-4-fluoroanilino)-1,3-thiazole-5-carboxylate
CID 82015757
methyl 5-amino-6-[(5-fluoro-3-pyridinyl)amino]pyridine-2-carboxylate
CID 114254932
methyl 5-amino-6-(5-bromo-4-fluoro-2-methylanilino)pyridine-2-carboxylate
CID 107593608
methyl 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxylate
CID 114407264
methyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate
CID 114405187
2-(2-amino-4-fluoroanilino)-5-fluorobenzonitrile
CID 82013407
5-amino-6-(2-cyano-4-fluoroanilino)pyridine-3-carbonitrile
CID 103468902
methyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate
CID 114404918
2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-5-fluorobenzonitrile
CID 82684581

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-(2-cyano-4-fluoroanilino)pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-(2-cyano-4-fluoroanilino)pyridine-2-carboxylate (CID 114407384) is methyl 5-amino-6-(2-cyano-4-fluoroanilino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-(2-cyano-4-fluoroanilino)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-(2-cyano-4-fluoroanilino)pyridine-2-carboxylate is COC(=O)c1ccc(N)c(Nc2ccc(F)cc2C#N)n1.
What is the InChIKey of methyl 5-amino-6-(2-cyano-4-fluoroanilino)pyridine-2-carboxylate?
The InChIKey is IBHKBXUZKMMHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2/c1-21-14(20)12-5-3-10(17)13(19-12)18-11-4-2-9(15)6-8(11)7-16/h2-6H,17H2,1H3,(H,18,19).
What are the key properties of methyl 5-amino-6-(2-cyano-4-fluoroanilino)pyridine-2-carboxylate?
methyl 5-amino-6-(2-cyano-4-fluoroanilino)pyridine-2-carboxylate has a molecular weight of 286.27 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-(2-cyano-4-fluoroanilino)pyridine-2-carboxylate is sourced from PubChem (CID 114407384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).