(3,4-dichlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine

C13H9Cl2F3N2 — CID 105077091

IUPAC(3,4-dichlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESNC(c1ccc(Cl)c(Cl)c1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H9Cl2F3N2/c14-9-3-1-7(5-10(9)15)12(19)11-4-2-8(6-20-11)13(16,17)18/h1-6,12H,19H2
InChIKeyGLCVUBVTNXPPHP-UHFFFAOYSA-N
MW321.13 g/mol
LogP4.46
Rot. Bonds2

About (3,4-dichlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine

(3,4-dichlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine (PubChem CID 105077091) has the molecular formula C13H9Cl2F3N2 and a molecular weight of 321.13 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
PubChem CID105077091
Molecular FormulaC13H9Cl2F3N2
Molecular Weight321.13 g/mol
Exact Mass320.01
IUPAC Name(3,4-dichlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESNC(c1ccc(Cl)c(Cl)c1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H9Cl2F3N2/c14-9-3-1-7(5-10(9)15)12(19)11-4-2-8(6-20-11)13(16,17)18/h1-6,12H,19H2
InChIKeyGLCVUBVTNXPPHP-UHFFFAOYSA-N
XLogP4.46
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.13
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-methylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 107561604
(3,4-dimethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105140396
2,3-dihydro-1-benzofuran-5-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105180243
(3,4-dichlorophenyl)-quinoxalin-2-ylmethanamine
CID 107356865
(2-ethylpyrazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105148490
2-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 130094479
(3-chloro-4-iodophenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 103215160
4,4,4-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
CID 105156496
(3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708429
bis[5-(trifluoromethyl)-2-pyridinyl]methanol
CID 170433737
2-(2,3-dichlorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 107312168
(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 71164818

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
The IUPAC name of (3,4-dichlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine (CID 105077091) is (3,4-dichlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for (3,4-dichlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
The canonical SMILES for (3,4-dichlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine is NC(c1ccc(Cl)c(Cl)c1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of (3,4-dichlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
The InChIKey is GLCVUBVTNXPPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F3N2/c14-9-3-1-7(5-10(9)15)12(19)11-4-2-8(6-20-11)13(16,17)18/h1-6,12H,19H2.
What are the key properties of (3,4-dichlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
(3,4-dichlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine has a molecular weight of 321.13 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 105077091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).