5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridin-3-amine

C12H8ClF3N2O — CID 133086673

IUPAC5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridin-3-amine
SMILESNc1cc(Cl)cnc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H8ClF3N2O/c13-8-5-10(17)11(18-6-8)7-1-3-9(4-2-7)19-12(14,15)16/h1-6H,17H2
InChIKeyHUDHFOUBXFOIBB-UHFFFAOYSA-N
MW288.66 g/mol
LogP3.88
Rot. Bonds2

About 5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridin-3-amine

5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridin-3-amine (PubChem CID 133086673) has the molecular formula C12H8ClF3N2O and a molecular weight of 288.66 g/mol. Its IUPAC name is 5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridin-3-amine.

Molecular Properties

Compound Name5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridin-3-amine
PubChem CID133086673
Molecular FormulaC12H8ClF3N2O
Molecular Weight288.66 g/mol
Exact Mass288.03
IUPAC Name5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridin-3-amine
SMILESNc1cc(Cl)cnc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H8ClF3N2O/c13-8-5-10(17)11(18-6-8)7-1-3-9(4-2-7)19-12(14,15)16/h1-6H,17H2
InChIKeyHUDHFOUBXFOIBB-UHFFFAOYSA-N
XLogP3.88
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.66
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-phenylpyridin-3-amine
CID 46311799
2-[5-chloro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133094110
5-amino-2-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 133086771
[3,5-dichloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 134623616
4-chloro-6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 116629481
5-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]triazol-4-amine
CID 15998416
[5-amino-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 133086826
5-chloro-2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171916719
N-[1-[4-(3-amino-5-cyano-2-pyridinyl)phenyl]cyclopropyl]-4-(trifluoromethoxy)benzamide
CID 155315729
5-amino-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid
CID 151499726
2-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
CID 133089301
2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912467

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridin-3-amine?
The IUPAC name of 5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridin-3-amine (CID 133086673) is 5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridin-3-amine.
What is the SMILES notation for 5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridin-3-amine?
The canonical SMILES for 5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridin-3-amine is Nc1cc(Cl)cnc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridin-3-amine?
The InChIKey is HUDHFOUBXFOIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O/c13-8-5-10(17)11(18-6-8)7-1-3-9(4-2-7)19-12(14,15)16/h1-6H,17H2.
What are the key properties of 5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridin-3-amine?
5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridin-3-amine has a molecular weight of 288.66 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridin-3-amine is sourced from PubChem (CID 133086673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).