3-amino-6-(3,4,5-trifluoroanilino)pyridine-2-carbonitrile

C12H7F3N4 — CID 103468291

IUPAC3-amino-6-(3,4,5-trifluoroanilino)pyridine-2-carbonitrile
SMILESN#Cc1nc(Nc2cc(F)c(F)c(F)c2)ccc1N
InChIInChI=1S/C12H7F3N4/c13-7-3-6(4-8(14)12(7)15)18-11-2-1-9(17)10(5-16)19-11/h1-4H,17H2,(H,18,19)
InChIKeyQRQWAQWHRJSFOM-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.70
Rot. Bonds2

About 3-amino-6-(3,4,5-trifluoroanilino)pyridine-2-carbonitrile

3-amino-6-(3,4,5-trifluoroanilino)pyridine-2-carbonitrile (PubChem CID 103468291) has the molecular formula C12H7F3N4 and a molecular weight of 264.21 g/mol. Its IUPAC name is 3-amino-6-(3,4,5-trifluoroanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(3,4,5-trifluoroanilino)pyridine-2-carbonitrile
PubChem CID103468291
Molecular FormulaC12H7F3N4
Molecular Weight264.21 g/mol
Exact Mass264.06
IUPAC Name3-amino-6-(3,4,5-trifluoroanilino)pyridine-2-carbonitrile
SMILESN#Cc1nc(Nc2cc(F)c(F)c(F)c2)ccc1N
InChIInChI=1S/C12H7F3N4/c13-7-3-6(4-8(14)12(7)15)18-11-2-1-9(17)10(5-16)19-11/h1-4H,17H2,(H,18,19)
InChIKeyQRQWAQWHRJSFOM-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-6-(3,5-dichloroanilino)pyridine-2-carbonitrile
CID 103467416
3-amino-6-[4-(trifluoromethyl)anilino]pyridine-2-carbonitrile
CID 103467409
3-amino-6-(naphthalen-2-ylamino)pyridine-2-carbonitrile
CID 10658994
3-amino-6-(4-methylsulfanylanilino)pyridine-2-carbonitrile
CID 103467393
6-(3,4,5-trifluoroanilino)pyridine-3-carbonitrile
CID 55119031
3-amino-6-[(2,4-difluorophenyl)methylamino]pyridine-2-carbonitrile
CID 103468207
3-amino-6-(2-methylanilino)pyridine-2-carbonitrile
CID 103467468
3-amino-6-(2,2-difluoroethylamino)pyridine-2-carbonitrile
CID 103468887
3-amino-6-[1-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile
CID 103467892
3-amino-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-2-carbonitrile
CID 107845785
3-amino-6-(2-hydroxyethylamino)pyridine-2-carbonitrile
CID 103467344
3-amino-6-[(3,5-dichloro-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)amino]pyridine-2-carbonitrile
CID 103468626

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3,4,5-trifluoroanilino)pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-(3,4,5-trifluoroanilino)pyridine-2-carbonitrile (CID 103468291) is 3-amino-6-(3,4,5-trifluoroanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(3,4,5-trifluoroanilino)pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(3,4,5-trifluoroanilino)pyridine-2-carbonitrile is N#Cc1nc(Nc2cc(F)c(F)c(F)c2)ccc1N.
What is the InChIKey of 3-amino-6-(3,4,5-trifluoroanilino)pyridine-2-carbonitrile?
The InChIKey is QRQWAQWHRJSFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4/c13-7-3-6(4-8(14)12(7)15)18-11-2-1-9(17)10(5-16)19-11/h1-4H,17H2,(H,18,19).
What are the key properties of 3-amino-6-(3,4,5-trifluoroanilino)pyridine-2-carbonitrile?
3-amino-6-(3,4,5-trifluoroanilino)pyridine-2-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-6-(3,4,5-trifluoroanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 103468291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).