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

C13H9Cl2F3N2 — CID 102709770

IUPAC(2,3-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNC(c1cnccc1C(F)(F)F)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H9Cl2F3N2/c14-10-3-1-2-7(11(10)15)12(19)8-6-20-5-4-9(8)13(16,17)18/h1-6,12H,19H2
InChIKeyCHWUYZDATSDKMW-UHFFFAOYSA-N
MW321.13 g/mol
LogP4.46
Rot. Bonds2

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

(2,3-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 102709770) has the molecular formula C13H9Cl2F3N2 and a molecular weight of 321.13 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID102709770
Molecular FormulaC13H9Cl2F3N2
Molecular Weight321.13 g/mol
Exact Mass320.01
IUPAC Name(2,3-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNC(c1cnccc1C(F)(F)F)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H9Cl2F3N2/c14-10-3-1-2-7(11(10)15)12(19)8-6-20-5-4-9(8)13(16,17)18/h1-6,12H,19H2
InChIKeyCHWUYZDATSDKMW-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

(2-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708099
(2-chloro-6-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710002
(3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708429
(4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102707952
(2,3-dichlorophenyl)-isoquinolin-5-ylmethanamine
CID 115853206
1-(2,6-dichlorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709752
1-(3-chloro-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708195
(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708360
(5-chloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708383
(2,3-dichlorophenyl)-(3-methoxy-4-pyridinyl)methanamine
CID 105065497
(2-ethoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708459
(2,5-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710062

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of (2,3-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine (CID 102709770) is (2,3-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for (2,3-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for (2,3-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine is NC(c1cnccc1C(F)(F)F)c1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is CHWUYZDATSDKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F3N2/c14-10-3-1-2-7(11(10)15)12(19)8-6-20-5-4-9(8)13(16,17)18/h1-6,12H,19H2.
What are the key properties of (2,3-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
(2,3-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 (2,3-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 102709770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).