(3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine

C13H9Cl2F3N2 — CID 79780298

IUPAC(3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1cccc(C(F)(F)F)c1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2F3N2/c14-9-5-10(15)12(20-6-9)11(19)7-2-1-3-8(4-7)13(16,17)18/h1-6,11H,19H2
InChIKeyWQKDIXLJTNPDPU-UHFFFAOYSA-N
MW321.13 g/mol
LogP4.46
Rot. Bonds2

About (3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine

(3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 79780298) has the molecular formula C13H9Cl2F3N2 and a molecular weight of 321.13 g/mol. Its IUPAC name is (3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID79780298
Molecular FormulaC13H9Cl2F3N2
Molecular Weight321.13 g/mol
Exact Mass320.01
IUPAC Name(3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1cccc(C(F)(F)F)c1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2F3N2/c14-9-5-10(15)12(20-6-9)11(19)7-2-1-3-8(4-7)13(16,17)18/h1-6,11H,19H2
InChIKeyWQKDIXLJTNPDPU-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

(3,5-dichloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289145
(3,5-dichloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544792
(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine
CID 170898673
(3-chloro-4-methylphenyl)-(3,5-dichloro-2-pyridinyl)methanamine
CID 107560529
(2-chloro-5-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 105394656
(3-bromo-4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115566981
(R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine
CID 28502674
(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708360
(3,5-dichloro-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanamine
CID 79780714
(4-chloro-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 114646443
(2,6-dimethyl-4-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107503114
(2-chloro-5-fluorophenyl)-(3,5-dichloro-2-pyridinyl)methanamine
CID 105395259

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine (CID 79780298) is (3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine is NC(c1cccc(C(F)(F)F)c1)c1ncc(Cl)cc1Cl.
What is the InChIKey of (3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is WQKDIXLJTNPDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F3N2/c14-9-5-10(15)12(20-6-9)11(19)7-2-1-3-8(4-7)13(16,17)18/h1-6,11H,19H2.
What are the key properties of (3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine?
(3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]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 (3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 79780298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).