5-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]isoquinolin-3-amine

C15H9ClF3N3 — CID 177312580

IUPAC5-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]isoquinolin-3-amine
SMILESFC(F)(F)c1ccnc(Nc2cc3c(Cl)cccc3cn2)c1
InChIInChI=1S/C15H9ClF3N3/c16-12-3-1-2-9-8-21-14(7-11(9)12)22-13-6-10(4-5-20-13)15(17,18)19/h1-8H,(H,20,21,22)
InChIKeyUZNOCTFOOAVSFP-UHFFFAOYSA-N
MW323.71 g/mol
LogP5.05
Rot. Bonds2

About 5-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]isoquinolin-3-amine

5-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]isoquinolin-3-amine (PubChem CID 177312580) has the molecular formula C15H9ClF3N3 and a molecular weight of 323.71 g/mol. Its IUPAC name is 5-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]isoquinolin-3-amine.

Molecular Properties

Compound Name5-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]isoquinolin-3-amine
PubChem CID177312580
Molecular FormulaC15H9ClF3N3
Molecular Weight323.71 g/mol
Exact Mass323.04
IUPAC Name5-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]isoquinolin-3-amine
SMILESFC(F)(F)c1ccnc(Nc2cc3c(Cl)cccc3cn2)c1
InChIInChI=1S/C15H9ClF3N3/c16-12-3-1-2-9-8-21-14(7-11(9)12)22-13-6-10(4-5-20-13)15(17,18)19/h1-8H,(H,20,21,22)
InChIKeyUZNOCTFOOAVSFP-UHFFFAOYSA-N
XLogP5.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.71
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine
CID 137378416
3,5-dichloroisoquinoline
CID 103351538
2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine
CID 11696916
[4-(trifluoromethyl)-2-pyridinyl]hydrazine;hydrochloride
CID 142330793
N-methyl-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
CID 175492104
4-methyl-6-pyridin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 149220337
8-chloro-3-(trifluoromethyl)isoquinoline
CID 165441282
6-bromo-4-(bromomethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 90237738
6-chloro-N-(2,6-dichlorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715985
4-N-tert-butyl-2-(6-methyl-2-pyridinyl)-6-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,6-diamine
CID 121388250
6-N-(2-chlorophenyl)-2-N-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-2,6-diamine
CID 71448877
N'-[4-[6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]ethane-1,2-diamine
CID 56947356

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]isoquinolin-3-amine?
The IUPAC name of 5-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]isoquinolin-3-amine (CID 177312580) is 5-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]isoquinolin-3-amine.
What is the SMILES notation for 5-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]isoquinolin-3-amine?
The canonical SMILES for 5-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]isoquinolin-3-amine is FC(F)(F)c1ccnc(Nc2cc3c(Cl)cccc3cn2)c1.
What is the InChIKey of 5-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]isoquinolin-3-amine?
The InChIKey is UZNOCTFOOAVSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3/c16-12-3-1-2-9-8-21-14(7-11(9)12)22-13-6-10(4-5-20-13)15(17,18)19/h1-8H,(H,20,21,22).
What are the key properties of 5-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]isoquinolin-3-amine?
5-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]isoquinolin-3-amine has a molecular weight of 323.71 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]isoquinolin-3-amine is sourced from PubChem (CID 177312580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).