6-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine

C15H9ClF3N3 — CID 137378416

IUPAC6-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine
SMILESFC(F)(F)c1ccnc(Nc2ccc3cc(Cl)ccc3n2)c1
InChIInChI=1S/C15H9ClF3N3/c16-11-2-3-12-9(7-11)1-4-13(21-12)22-14-8-10(5-6-20-14)15(17,18)19/h1-8H,(H,20,21,22)
InChIKeyWASHWXCWDGIPIH-UHFFFAOYSA-N
MW323.71 g/mol
LogP5.05
Rot. Bonds2

About 6-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine

6-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine (PubChem CID 137378416) has the molecular formula C15H9ClF3N3 and a molecular weight of 323.71 g/mol. Its IUPAC name is 6-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine
PubChem CID137378416
Molecular FormulaC15H9ClF3N3
Molecular Weight323.71 g/mol
Exact Mass323.04
IUPAC Name6-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine
SMILESFC(F)(F)c1ccnc(Nc2ccc3cc(Cl)ccc3n2)c1
InChIInChI=1S/C15H9ClF3N3/c16-11-2-3-12-9(7-11)1-4-13(21-12)22-14-8-10(5-6-20-14)15(17,18)19/h1-8H,(H,20,21,22)
InChIKeyWASHWXCWDGIPIH-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-ethyl-2-pyridinyl)quinolin-2-amine
CID 138556722
N-methyl-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
CID 175492104
5-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]isoquinolin-3-amine
CID 177312580
4-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
CID 86785423
N-ethenyl-4-(trifluoromethyl)pyridin-2-amine
CID 142379561
6-[(6-chloroquinolin-2-yl)amino]-2-methylpyridine-3-carbonitrile
CID 138556714
[4-(trifluoromethyl)-2-pyridinyl]hydrazine;hydrochloride
CID 142330793
2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 141417445
6-bromo-4-(bromomethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 90237738
N'-[4-[6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]ethane-1,2-diamine
CID 56947356
2-[1-[4-chloro-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]imidazol-4-yl]propan-2-ol
CID 72704256
2-(3-chlorophenyl)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 133473010

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine?
The IUPAC name of 6-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine (CID 137378416) is 6-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine.
What is the SMILES notation for 6-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine?
The canonical SMILES for 6-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine is FC(F)(F)c1ccnc(Nc2ccc3cc(Cl)ccc3n2)c1.
What is the InChIKey of 6-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine?
The InChIKey is WASHWXCWDGIPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3/c16-11-2-3-12-9(7-11)1-4-13(21-12)22-14-8-10(5-6-20-14)15(17,18)19/h1-8H,(H,20,21,22).
What are the key properties of 6-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine?
6-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-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 6-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine is sourced from PubChem (CID 137378416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).