3-amino-6-[4-(trifluoromethyl)anilino]pyridine-2-carbonitrile

C13H9F3N4 — CID 103467409

IUPAC3-amino-6-[4-(trifluoromethyl)anilino]pyridine-2-carbonitrile
SMILESN#Cc1nc(Nc2ccc(C(F)(F)F)cc2)ccc1N
InChIInChI=1S/C13H9F3N4/c14-13(15,16)8-1-3-9(4-2-8)19-12-6-5-10(18)11(7-17)20-12/h1-6H,18H2,(H,19,20)
InChIKeyYGVUMPJAPKWIEF-UHFFFAOYSA-N
MW278.24 g/mol
LogP3.30
Rot. Bonds2

About 3-amino-6-[4-(trifluoromethyl)anilino]pyridine-2-carbonitrile

3-amino-6-[4-(trifluoromethyl)anilino]pyridine-2-carbonitrile (PubChem CID 103467409) has the molecular formula C13H9F3N4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 3-amino-6-[4-(trifluoromethyl)anilino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-[4-(trifluoromethyl)anilino]pyridine-2-carbonitrile
PubChem CID103467409
Molecular FormulaC13H9F3N4
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC Name3-amino-6-[4-(trifluoromethyl)anilino]pyridine-2-carbonitrile
SMILESN#Cc1nc(Nc2ccc(C(F)(F)F)cc2)ccc1N
InChIInChI=1S/C13H9F3N4/c14-13(15,16)8-1-3-9(4-2-8)19-12-6-5-10(18)11(7-17)20-12/h1-6H,18H2,(H,19,20)
InChIKeyYGVUMPJAPKWIEF-UHFFFAOYSA-N
XLogP3.30
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-(4-methylsulfanylanilino)pyridine-2-carbonitrile
CID 103467393
3-amino-6-(3,4,5-trifluoroanilino)pyridine-2-carbonitrile
CID 103468291
3-amino-6-(3,5-dichloroanilino)pyridine-2-carbonitrile
CID 103467416
3-amino-6-(naphthalen-2-ylamino)pyridine-2-carbonitrile
CID 10658994
3-amino-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile
CID 103469607
6-hydrazinyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 80920368
3-amino-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 103468304
3-amino-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-2-carbonitrile
CID 107845785
3-amino-6-(2-methylanilino)pyridine-2-carbonitrile
CID 103467468
6-fluoro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 61229555
3-amino-6-(2-chloro-6-methylanilino)pyridine-2-carbonitrile
CID 103468701
3-amino-6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-2-carbonitrile
CID 106183703

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-(trifluoromethyl)anilino]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-[4-(trifluoromethyl)anilino]pyridine-2-carbonitrile (CID 103467409) is 3-amino-6-[4-(trifluoromethyl)anilino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-[4-(trifluoromethyl)anilino]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-[4-(trifluoromethyl)anilino]pyridine-2-carbonitrile is N#Cc1nc(Nc2ccc(C(F)(F)F)cc2)ccc1N.
What is the InChIKey of 3-amino-6-[4-(trifluoromethyl)anilino]pyridine-2-carbonitrile?
The InChIKey is YGVUMPJAPKWIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4/c14-13(15,16)8-1-3-9(4-2-8)19-12-6-5-10(18)11(7-17)20-12/h1-6H,18H2,(H,19,20).
What are the key properties of 3-amino-6-[4-(trifluoromethyl)anilino]pyridine-2-carbonitrile?
3-amino-6-[4-(trifluoromethyl)anilino]pyridine-2-carbonitrile has a molecular weight of 278.24 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-(trifluoromethyl)anilino]pyridine-2-carbonitrile is sourced from PubChem (CID 103467409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).