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

C13H9Cl2F3N2 — CID 102708429

IUPAC(3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNC(c1ccc(Cl)c(Cl)c1)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H9Cl2F3N2/c14-10-2-1-7(5-11(10)15)12(19)8-6-20-4-3-9(8)13(16,17)18/h1-6,12H,19H2
InChIKeyWDVNPNCSEYVXOE-UHFFFAOYSA-N
MW321.13 g/mol
LogP4.46
Rot. Bonds2

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

(3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 102708429) has the molecular formula C13H9Cl2F3N2 and a molecular weight of 321.13 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID102708429
Molecular FormulaC13H9Cl2F3N2
Molecular Weight321.13 g/mol
Exact Mass320.01
IUPAC Name(3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNC(c1ccc(Cl)c(Cl)c1)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H9Cl2F3N2/c14-10-2-1-7(5-11(10)15)12(19)8-6-20-4-3-9(8)13(16,17)18/h1-6,12H,19H2
InChIKeyWDVNPNCSEYVXOE-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

(4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102707952
[(3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710395
(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708046
(2-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708099
(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708360
(2,3-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709770
3-[amino-[4-(trifluoromethyl)-3-pyridinyl]methyl]-N,N-dimethylaniline
CID 102709954
(2-chloro-6-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710002
(4-ethylsulfanylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 106848731
(5-chloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708383
(3-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 105142603
(2,5-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710062

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of (3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine (CID 102708429) is (3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for (3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine is NC(c1ccc(Cl)c(Cl)c1)c1cnccc1C(F)(F)F.
What is the InChIKey of (3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is WDVNPNCSEYVXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F3N2/c14-10-2-1-7(5-11(10)15)12(19)8-6-20-4-3-9(8)13(16,17)18/h1-6,12H,19H2.
What are the key properties of (3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
(3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-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)-[4-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 102708429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).