5-amino-6-(3-fluoro-2-methylanilino)pyridine-3-carbonitrile

C13H11FN4 — CID 103468059

IUPAC5-amino-6-(3-fluoro-2-methylanilino)pyridine-3-carbonitrile
SMILESCc1c(F)cccc1Nc1ncc(C#N)cc1N
InChIInChI=1S/C13H11FN4/c1-8-10(14)3-2-4-12(8)18-13-11(16)5-9(6-15)7-17-13/h2-5,7H,16H2,1H3,(H,17,18)
InChIKeyAYXQJEUZFQIWJA-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.73
Rot. Bonds2

About 5-amino-6-(3-fluoro-2-methylanilino)pyridine-3-carbonitrile

5-amino-6-(3-fluoro-2-methylanilino)pyridine-3-carbonitrile (PubChem CID 103468059) has the molecular formula C13H11FN4 and a molecular weight of 242.26 g/mol. Its IUPAC name is 5-amino-6-(3-fluoro-2-methylanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-(3-fluoro-2-methylanilino)pyridine-3-carbonitrile
PubChem CID103468059
Molecular FormulaC13H11FN4
Molecular Weight242.26 g/mol
Exact Mass242.10
IUPAC Name5-amino-6-(3-fluoro-2-methylanilino)pyridine-3-carbonitrile
SMILESCc1c(F)cccc1Nc1ncc(C#N)cc1N
InChIInChI=1S/C13H11FN4/c1-8-10(14)3-2-4-12(8)18-13-11(16)5-9(6-15)7-17-13/h2-5,7H,16H2,1H3,(H,17,18)
InChIKeyAYXQJEUZFQIWJA-UHFFFAOYSA-N
XLogP2.73
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-(2-bromo-6-fluoroanilino)pyridine-3-carbonitrile
CID 107596632
5-amino-6-(2-cyano-4-fluoroanilino)pyridine-3-carbonitrile
CID 103468902
4-N-(3-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80814540
5-amino-6-(5-chloro-2-cyanoanilino)pyridine-3-carbonitrile
CID 103468593
6-chloro-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,5-diamine
CID 63022392
5-amino-6-[3-(trifluoromethyl)anilino]pyridine-3-carbonitrile
CID 103467380
2-N-(2,3-dimethylphenyl)-5-methylpyridine-2,3-diamine
CID 66280393
2-chloro-6-(3-fluoro-2-methylanilino)pyridine-4-carbonitrile
CID 83077396
5-fluoro-2-(3-fluoro-2-methylanilino)benzonitrile
CID 63667348
2-fluoro-4-(3-fluoro-2-methylanilino)benzonitrile
CID 113295636
3-[(5-aminopyrimidin-4-yl)amino]-4-methylbenzonitrile
CID 79917359
3-amino-4-(2,6-difluoroanilino)benzonitrile
CID 43518142

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3-fluoro-2-methylanilino)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-(3-fluoro-2-methylanilino)pyridine-3-carbonitrile (CID 103468059) is 5-amino-6-(3-fluoro-2-methylanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-(3-fluoro-2-methylanilino)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-(3-fluoro-2-methylanilino)pyridine-3-carbonitrile is Cc1c(F)cccc1Nc1ncc(C#N)cc1N.
What is the InChIKey of 5-amino-6-(3-fluoro-2-methylanilino)pyridine-3-carbonitrile?
The InChIKey is AYXQJEUZFQIWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4/c1-8-10(14)3-2-4-12(8)18-13-11(16)5-9(6-15)7-17-13/h2-5,7H,16H2,1H3,(H,17,18).
What are the key properties of 5-amino-6-(3-fluoro-2-methylanilino)pyridine-3-carbonitrile?
5-amino-6-(3-fluoro-2-methylanilino)pyridine-3-carbonitrile has a molecular weight of 242.26 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3-fluoro-2-methylanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 103468059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).