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

C12H8Cl2F3N3 — CID 102708360

IUPAC(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNC(c1cnccc1C(F)(F)F)c1ncc(Cl)cc1Cl
InChIInChI=1S/C12H8Cl2F3N3/c13-6-3-9(14)11(20-4-6)10(18)7-5-19-2-1-8(7)12(15,16)17/h1-5,10H,18H2
InChIKeyRWLCBEFSFQTBKQ-UHFFFAOYSA-N
MW322.12 g/mol
LogP3.85
Rot. Bonds2

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

(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 102708360) has the molecular formula C12H8Cl2F3N3 and a molecular weight of 322.12 g/mol. Its IUPAC name is (3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID102708360
Molecular FormulaC12H8Cl2F3N3
Molecular Weight322.12 g/mol
Exact Mass321.00
IUPAC Name(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNC(c1cnccc1C(F)(F)F)c1ncc(Cl)cc1Cl
InChIInChI=1S/C12H8Cl2F3N3/c13-6-3-9(14)11(20-4-6)10(18)7-5-19-2-1-8(7)12(15,16)17/h1-5,10H,18H2
InChIKeyRWLCBEFSFQTBKQ-UHFFFAOYSA-N
XLogP3.85
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.12
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710376
(5-chloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708383
(3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708429
(4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102707952
(3,5-dichloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289145
(2-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708099
(2,3-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709770
(2-chloro-5-fluorophenyl)-(3,5-dichloro-2-pyridinyl)methanamine
CID 105395259
(2-chloro-6-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710002
(3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 79780298
(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708046
(3,5-dichloro-2-pyridinyl)-(2,4-dimethylphenyl)methanamine
CID 79780865

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of (3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine (CID 102708360) is (3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for (3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for (3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine is NC(c1cnccc1C(F)(F)F)c1ncc(Cl)cc1Cl.
What is the InChIKey of (3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is RWLCBEFSFQTBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F3N3/c13-6-3-9(14)11(20-4-6)10(18)7-5-19-2-1-8(7)12(15,16)17/h1-5,10H,18H2.
What are the key properties of (3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 322.12 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 102708360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).