2-chloro-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)aniline

C13H10ClF3N2 — CID 43714578

IUPAC2-chloro-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCc2ccccn2)c(Cl)c1
InChIInChI=1S/C13H10ClF3N2/c14-11-7-9(13(15,16)17)4-5-12(11)19-8-10-3-1-2-6-18-10/h1-7,19H,8H2
InChIKeyUZGRSKNYVSCZBR-UHFFFAOYSA-N
MW286.68 g/mol
LogP4.37
Rot. Bonds3

About 2-chloro-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)aniline

2-chloro-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)aniline (PubChem CID 43714578) has the molecular formula C13H10ClF3N2 and a molecular weight of 286.68 g/mol. Its IUPAC name is 2-chloro-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)aniline
PubChem CID43714578
Molecular FormulaC13H10ClF3N2
Molecular Weight286.68 g/mol
Exact Mass286.05
IUPAC Name2-chloro-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCc2ccccn2)c(Cl)c1
InChIInChI=1S/C13H10ClF3N2/c14-11-7-9(13(15,16)17)4-5-12(11)19-8-10-3-1-2-6-18-10/h1-7,19H,8H2
InChIKeyUZGRSKNYVSCZBR-UHFFFAOYSA-N
XLogP4.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.68
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-iodo-N-(pyridin-2-ylmethyl)aniline
CID 43733694
2-chloro-N-[(2-ethylphenyl)methyl]-4-(trifluoromethyl)aniline
CID 63442300
5-bromo-2-chloro-N-(pyridin-2-ylmethyl)aniline
CID 62913558
[4-[[2-chloro-4-(trifluoromethyl)anilino]methyl]phenyl]methanol
CID 115969616
2-chloro-N-(2-phenoxyethyl)-4-(trifluoromethyl)aniline
CID 63668109
2-methyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine
CID 70795723
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide
CID 1491777
3-chloro-2-N,2-N-dimethyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine
CID 43739781
2-chloro-4-fluoro-N-(2-pyridin-2-ylethyl)aniline
CID 60721568
1-(pyridin-2-ylmethylamino)-2-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 111121601
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-isocyano-N-(pyridin-2-ylmethyl)-4-(trifluoromethylsulfanyl)pyrazol-5-amine
CID 59712254
4-(pyridin-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109212905

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)aniline (CID 43714578) is 2-chloro-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)aniline is FC(F)(F)c1ccc(NCc2ccccn2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)aniline?
The InChIKey is UZGRSKNYVSCZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2/c14-11-7-9(13(15,16)17)4-5-12(11)19-8-10-3-1-2-6-18-10/h1-7,19H,8H2.
What are the key properties of 2-chloro-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)aniline?
2-chloro-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)aniline has a molecular weight of 286.68 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 43714578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).