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

C13H8ClF3N4 — CID 63668446

IUPAC5-amino-2-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H8ClF3N4/c14-10-4-8(13(15,16)17)1-2-11(10)21-12-7(5-18)3-9(19)6-20-12/h1-4,6H,19H2,(H,20,21)
InChIKeyHXWGQBFZENPJKL-UHFFFAOYSA-N
MW312.68 g/mol
LogP3.95
Rot. Bonds2

About 5-amino-2-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile

5-amino-2-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile (PubChem CID 63668446) has the molecular formula C13H8ClF3N4 and a molecular weight of 312.68 g/mol. Its IUPAC name is 5-amino-2-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile
PubChem CID63668446
Molecular FormulaC13H8ClF3N4
Molecular Weight312.68 g/mol
Exact Mass312.04
IUPAC Name5-amino-2-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H8ClF3N4/c14-10-4-8(13(15,16)17)1-2-11(10)21-12-7(5-18)3-9(19)6-20-12/h1-4,6H,19H2,(H,20,21)
InChIKeyHXWGQBFZENPJKL-UHFFFAOYSA-N
XLogP3.95
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.68
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(2-chloro-4-fluoroanilino)pyridine-3-carbonitrile
CID 54860679
5-amino-2-(2,4-dichloroanilino)pyridine-3-carbonitrile
CID 54938417
2-[(5-amino-3-bromo-2-pyridinyl)amino]-5-(trifluoromethyl)benzonitrile
CID 115910961
5-amino-2-(2,5-dichloro-4-methylanilino)pyridine-3-carbonitrile
CID 104725902
5-amino-2-(2,6-dichloroanilino)pyridine-3-carbonitrile
CID 65469093
5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-3-fluoropyridin-2-amine
CID 79727796
6-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile
CID 63668990
5-amino-2-[2-(trifluoromethoxy)anilino]pyridine-3-carbonitrile
CID 60922508
5-amino-2-(2,4-dibromoanilino)pyridine-3-carbonitrile
CID 54952819
2,5-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79632211
5-amino-2-(2-iodoanilino)pyridine-3-carbonitrile
CID 54860710
5-amino-2-(5-chloro-2-methoxyanilino)pyridine-3-carbonitrile
CID 54860696

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile (CID 63668446) is 5-amino-2-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile is N#Cc1cc(N)cnc1Nc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 5-amino-2-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile?
The InChIKey is HXWGQBFZENPJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N4/c14-10-4-8(13(15,16)17)1-2-11(10)21-12-7(5-18)3-9(19)6-20-12/h1-4,6H,19H2,(H,20,21).
What are the key properties of 5-amino-2-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile?
5-amino-2-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile has a molecular weight of 312.68 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile is sourced from PubChem (CID 63668446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).