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

C13H9F3N4 — CID 103467380

IUPAC5-amino-6-[3-(trifluoromethyl)anilino]pyridine-3-carbonitrile
SMILESN#Cc1cnc(Nc2cccc(C(F)(F)F)c2)c(N)c1
InChIInChI=1S/C13H9F3N4/c14-13(15,16)9-2-1-3-10(5-9)20-12-11(18)4-8(6-17)7-19-12/h1-5,7H,18H2,(H,19,20)
InChIKeyRIRQCYODQNQUAK-UHFFFAOYSA-N
MW278.24 g/mol
LogP3.30
Rot. Bonds2

About 5-amino-6-[3-(trifluoromethyl)anilino]pyridine-3-carbonitrile

5-amino-6-[3-(trifluoromethyl)anilino]pyridine-3-carbonitrile (PubChem CID 103467380) has the molecular formula C13H9F3N4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 5-amino-6-[3-(trifluoromethyl)anilino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-[3-(trifluoromethyl)anilino]pyridine-3-carbonitrile
PubChem CID103467380
Molecular FormulaC13H9F3N4
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC Name5-amino-6-[3-(trifluoromethyl)anilino]pyridine-3-carbonitrile
SMILESN#Cc1cnc(Nc2cccc(C(F)(F)F)c2)c(N)c1
InChIInChI=1S/C13H9F3N4/c14-13(15,16)9-2-1-3-10(5-9)20-12-11(18)4-8(6-17)7-19-12/h1-5,7H,18H2,(H,19,20)
InChIKeyRIRQCYODQNQUAK-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-[3-(trifluoromethyl)anilino]pyrazine-2-carbonitrile
CID 62685374
6-N-(4-fluorophenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19148458
4-N-(3-bromophenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19148508
1-(3-cyanophenyl)-3-[4-[3-(trifluoromethyl)anilino]quinazolin-6-yl]urea
CID 44569901
3-[2-amino-4-(trifluoromethyl)anilino]benzonitrile
CID 43148749
5-amino-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 61358785
5-amino-6-(3-fluoro-2-methylanilino)pyridine-3-carbonitrile
CID 103468059
5-amino-6-(2-bromo-6-fluoroanilino)pyridine-3-carbonitrile
CID 107596632
6-N-[(2-chlorophenyl)methyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19148539
5-amino-6-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
CID 103467321
5-amino-6-(1H-indol-5-ylamino)pyridine-3-carbonitrile
CID 18509743
6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine
CID 79021968

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[3-(trifluoromethyl)anilino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-[3-(trifluoromethyl)anilino]pyridine-3-carbonitrile (CID 103467380) is 5-amino-6-[3-(trifluoromethyl)anilino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-[3-(trifluoromethyl)anilino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-[3-(trifluoromethyl)anilino]pyridine-3-carbonitrile is N#Cc1cnc(Nc2cccc(C(F)(F)F)c2)c(N)c1.
What is the InChIKey of 5-amino-6-[3-(trifluoromethyl)anilino]pyridine-3-carbonitrile?
The InChIKey is RIRQCYODQNQUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4/c14-13(15,16)9-2-1-3-10(5-9)20-12-11(18)4-8(6-17)7-19-12/h1-5,7H,18H2,(H,19,20).
What are the key properties of 5-amino-6-[3-(trifluoromethyl)anilino]pyridine-3-carbonitrile?
5-amino-6-[3-(trifluoromethyl)anilino]pyridine-3-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 5-amino-6-[3-(trifluoromethyl)anilino]pyridine-3-carbonitrile is sourced from PubChem (CID 103467380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).