3-amino-2-(2,3,4-trifluoroanilino)pyridine-4-carbonitrile

C12H7F3N4 — CID 82817204

IUPAC3-amino-2-(2,3,4-trifluoroanilino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2ccc(F)c(F)c2F)c1N
InChIInChI=1S/C12H7F3N4/c13-7-1-2-8(10(15)9(7)14)19-12-11(17)6(5-16)3-4-18-12/h1-4H,17H2,(H,18,19)
InChIKeyVPWQFPNUTKVMJX-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.70
Rot. Bonds2

About 3-amino-2-(2,3,4-trifluoroanilino)pyridine-4-carbonitrile

3-amino-2-(2,3,4-trifluoroanilino)pyridine-4-carbonitrile (PubChem CID 82817204) has the molecular formula C12H7F3N4 and a molecular weight of 264.21 g/mol. Its IUPAC name is 3-amino-2-(2,3,4-trifluoroanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(2,3,4-trifluoroanilino)pyridine-4-carbonitrile
PubChem CID82817204
Molecular FormulaC12H7F3N4
Molecular Weight264.21 g/mol
Exact Mass264.06
IUPAC Name3-amino-2-(2,3,4-trifluoroanilino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2ccc(F)c(F)c2F)c1N
InChIInChI=1S/C12H7F3N4/c13-7-1-2-8(10(15)9(7)14)19-12-11(17)6(5-16)3-4-18-12/h1-4H,17H2,(H,18,19)
InChIKeyVPWQFPNUTKVMJX-UHFFFAOYSA-N
XLogP2.70
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-(5-fluoro-2-methylanilino)pyridine-4-carbonitrile
CID 82816959
3-amino-2-(4-bromo-3-fluoroanilino)pyridine-4-carbonitrile
CID 82813369
5-amino-2-(2,3,4-trifluoroanilino)benzonitrile
CID 61296352
3-amino-2-(2-ethylanilino)pyridine-4-carbonitrile
CID 82817206
3-amino-2-(2,5-dimethoxyanilino)pyridine-4-carbonitrile
CID 82817759
3-amino-2-[4-(cyanomethyl)anilino]pyridine-4-carbonitrile
CID 82817545
3-amino-2-(propan-2-ylamino)pyridine-4-carbonitrile
CID 82817119
5-chloro-2-(2,3,4-trifluoroanilino)benzonitrile
CID 55078330
3-amino-2-(5-bromo-2-methoxyanilino)pyridine-4-carbonitrile
CID 82817698
3-amino-2-(2-cyano-4-fluoroanilino)pyridine-4-carboxylic acid
CID 82685237
3-amino-2-(3,4-dimethylanilino)pyridine-4-carbonitrile
CID 82817679
3-amino-2-(3-fluoropropylamino)pyridine-4-carbonitrile
CID 130503947

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,3,4-trifluoroanilino)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(2,3,4-trifluoroanilino)pyridine-4-carbonitrile (CID 82817204) is 3-amino-2-(2,3,4-trifluoroanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(2,3,4-trifluoroanilino)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(2,3,4-trifluoroanilino)pyridine-4-carbonitrile is N#Cc1ccnc(Nc2ccc(F)c(F)c2F)c1N.
What is the InChIKey of 3-amino-2-(2,3,4-trifluoroanilino)pyridine-4-carbonitrile?
The InChIKey is VPWQFPNUTKVMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4/c13-7-1-2-8(10(15)9(7)14)19-12-11(17)6(5-16)3-4-18-12/h1-4H,17H2,(H,18,19).
What are the key properties of 3-amino-2-(2,3,4-trifluoroanilino)pyridine-4-carbonitrile?
3-amino-2-(2,3,4-trifluoroanilino)pyridine-4-carbonitrile has a molecular weight of 264.21 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,3,4-trifluoroanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 82817204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).