5-fluoro-2-[[2-(methylamino)-4-pyridinyl]amino]benzonitrile

C13H11FN4 — CID 113368000

IUPAC5-fluoro-2-[[2-(methylamino)-4-pyridinyl]amino]benzonitrile
SMILESCNc1cc(Nc2ccc(F)cc2C#N)ccn1
InChIInChI=1S/C13H11FN4/c1-16-13-7-11(4-5-17-13)18-12-3-2-10(14)6-9(12)8-15/h2-7H,1H3,(H2,16,17,18)
InChIKeyWREAMSOVQNGPLW-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.88
Rot. Bonds3

About 5-fluoro-2-[[2-(methylamino)-4-pyridinyl]amino]benzonitrile

5-fluoro-2-[[2-(methylamino)-4-pyridinyl]amino]benzonitrile (PubChem CID 113368000) has the molecular formula C13H11FN4 and a molecular weight of 242.26 g/mol. Its IUPAC name is 5-fluoro-2-[[2-(methylamino)-4-pyridinyl]amino]benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-[[2-(methylamino)-4-pyridinyl]amino]benzonitrile
PubChem CID113368000
Molecular FormulaC13H11FN4
Molecular Weight242.26 g/mol
Exact Mass242.10
IUPAC Name5-fluoro-2-[[2-(methylamino)-4-pyridinyl]amino]benzonitrile
SMILESCNc1cc(Nc2ccc(F)cc2C#N)ccn1
InChIInChI=1S/C13H11FN4/c1-16-13-7-11(4-5-17-13)18-12-3-2-10(14)6-9(12)8-15/h2-7H,1H3,(H2,16,17,18)
InChIKeyWREAMSOVQNGPLW-UHFFFAOYSA-N
XLogP2.88
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-difluoroanilino)-5-fluorobenzonitrile
CID 63668514
4-(4-fluoro-2-methoxyanilino)pyridine-2-carbonitrile
CID 55156098
2-(4-aminoanilino)-5-fluorobenzonitrile
CID 63672563
2-[(3-aminopyrazin-2-yl)amino]-5-fluorobenzonitrile
CID 102987010
5-(2-cyano-4-fluoroanilino)-2-methylbenzoic acid
CID 63674787
4-N-(3-fluoro-5-methylphenyl)-2-N-methylpyridine-2,4-diamine
CID 113367935
2-[[6-(1-aminoethyl)-5-fluoro-3-pyridinyl]amino]-5-fluorobenzonitrile
CID 59496426
5-fluoro-2-(2,3,5,6-tetrafluoroanilino)benzonitrile
CID 107644805
5-fluoro-2-(5-fluoro-2-methylanilino)benzonitrile
CID 63667159
2-N-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,4-diamine
CID 107647069
3-amino-2-(2-cyano-4-fluoroanilino)pyridine-4-carboxylic acid
CID 82685237
2-(3-chloro-4-methoxyanilino)-5-fluorobenzonitrile
CID 55231919

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[2-(methylamino)-4-pyridinyl]amino]benzonitrile?
The IUPAC name of 5-fluoro-2-[[2-(methylamino)-4-pyridinyl]amino]benzonitrile (CID 113368000) is 5-fluoro-2-[[2-(methylamino)-4-pyridinyl]amino]benzonitrile.
What is the SMILES notation for 5-fluoro-2-[[2-(methylamino)-4-pyridinyl]amino]benzonitrile?
The canonical SMILES for 5-fluoro-2-[[2-(methylamino)-4-pyridinyl]amino]benzonitrile is CNc1cc(Nc2ccc(F)cc2C#N)ccn1.
What is the InChIKey of 5-fluoro-2-[[2-(methylamino)-4-pyridinyl]amino]benzonitrile?
The InChIKey is WREAMSOVQNGPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4/c1-16-13-7-11(4-5-17-13)18-12-3-2-10(14)6-9(12)8-15/h2-7H,1H3,(H2,16,17,18).
What are the key properties of 5-fluoro-2-[[2-(methylamino)-4-pyridinyl]amino]benzonitrile?
5-fluoro-2-[[2-(methylamino)-4-pyridinyl]amino]benzonitrile has a molecular weight of 242.26 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[2-(methylamino)-4-pyridinyl]amino]benzonitrile is sourced from PubChem (CID 113368000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).