5-chloro-7-fluoro-3-[2-(trifluoromethyl)-4-pyridinyl]-3H-isoindol-1-amine

C14H8ClF4N3 — CID 141269213

IUPAC5-chloro-7-fluoro-3-[2-(trifluoromethyl)-4-pyridinyl]-3H-isoindol-1-amine
SMILESNC1=NC(c2ccnc(C(F)(F)F)c2)c2cc(Cl)cc(F)c21
InChIInChI=1S/C14H8ClF4N3/c15-7-4-8-11(9(16)5-7)13(20)22-12(8)6-1-2-21-10(3-6)14(17,18)19/h1-5,12H,(H2,20,22)
InChIKeyJOCXKLPZMNVEFG-UHFFFAOYSA-N
MW329.68 g/mol
LogP3.70
Rot. Bonds1

About 5-chloro-7-fluoro-3-[2-(trifluoromethyl)-4-pyridinyl]-3H-isoindol-1-amine

5-chloro-7-fluoro-3-[2-(trifluoromethyl)-4-pyridinyl]-3H-isoindol-1-amine (PubChem CID 141269213) has the molecular formula C14H8ClF4N3 and a molecular weight of 329.68 g/mol. Its IUPAC name is 5-chloro-7-fluoro-3-[2-(trifluoromethyl)-4-pyridinyl]-3H-isoindol-1-amine.

Molecular Properties

Compound Name5-chloro-7-fluoro-3-[2-(trifluoromethyl)-4-pyridinyl]-3H-isoindol-1-amine
PubChem CID141269213
Molecular FormulaC14H8ClF4N3
Molecular Weight329.68 g/mol
Exact Mass329.03
IUPAC Name5-chloro-7-fluoro-3-[2-(trifluoromethyl)-4-pyridinyl]-3H-isoindol-1-amine
SMILESNC1=NC(c2ccnc(C(F)(F)F)c2)c2cc(Cl)cc(F)c21
InChIInChI=1S/C14H8ClF4N3/c15-7-4-8-11(9(16)5-7)13(20)22-12(8)6-1-2-21-10(3-6)14(17,18)19/h1-5,12H,(H2,20,22)
InChIKeyJOCXKLPZMNVEFG-UHFFFAOYSA-N
XLogP3.70
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.68
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-7-fluoro-3-[2-(trifluoromethyl)-4-pyridinyl]-3H-isoindol-1-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

4-{[(1E)-5-chloro-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539792
(4-Pyridylmethylene)indane 8b
CID 6539793
2-(4-Chlorophenyl)-2-(5-(trifluoromethyl)pyridin-2-yl)acetonitrile (20)
CID 56604850
2-(4-Chloro-2-fluorophenyl)-2-(5-(trifluoromethyl)-pyridin-2-yl)acetonitrile (31)
CID 77014339
2-[6-chloro-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]-N,N-dimethylethanamine
CID 11759212
2-[6-chloro-3-(1-pyridin-2-ylpropyl)-1H-inden-2-yl]-N,N-dimethylethanamine
CID 10871551
2-[5-chloro-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]-N,N-dimethylethanamine
CID 10925451
13-Chloro-2-(1-cyclopentylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 155537274
N-[3-(4-chlorophenyl)propyl]-2-(trifluoromethyl)pyridin-4-amine
CID 166626066
4-(4-Chlorophenyl)-2-methylpyridine
CID 12367074
US9676701, 50 (trans)-2-(6-(2-chloro-5-(trifluoromethyl)phenyl)pyridin-3-yl)cyclopropanamine hydrochloride
CID 56654024
4-[(4-Chlorophenyl)methyl]-2-(difluoromethyl)pyridine
CID 168276985

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-fluoro-3-[2-(trifluoromethyl)-4-pyridinyl]-3H-isoindol-1-amine?
The IUPAC name of 5-chloro-7-fluoro-3-[2-(trifluoromethyl)-4-pyridinyl]-3H-isoindol-1-amine (CID 141269213) is 5-chloro-7-fluoro-3-[2-(trifluoromethyl)-4-pyridinyl]-3H-isoindol-1-amine.
What is the SMILES notation for 5-chloro-7-fluoro-3-[2-(trifluoromethyl)-4-pyridinyl]-3H-isoindol-1-amine?
The canonical SMILES for 5-chloro-7-fluoro-3-[2-(trifluoromethyl)-4-pyridinyl]-3H-isoindol-1-amine is NC1=NC(c2ccnc(C(F)(F)F)c2)c2cc(Cl)cc(F)c21.
What is the InChIKey of 5-chloro-7-fluoro-3-[2-(trifluoromethyl)-4-pyridinyl]-3H-isoindol-1-amine?
The InChIKey is JOCXKLPZMNVEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF4N3/c15-7-4-8-11(9(16)5-7)13(20)22-12(8)6-1-2-21-10(3-6)14(17,18)19/h1-5,12H,(H2,20,22).
What are the key properties of 5-chloro-7-fluoro-3-[2-(trifluoromethyl)-4-pyridinyl]-3H-isoindol-1-amine?
5-chloro-7-fluoro-3-[2-(trifluoromethyl)-4-pyridinyl]-3H-isoindol-1-amine has a molecular weight of 329.68 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-fluoro-3-[2-(trifluoromethyl)-4-pyridinyl]-3H-isoindol-1-amine is sourced from PubChem (CID 141269213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).