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

C12H9ClF3N3 — CID 102708383

IUPAC(5-chloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNC(c1ccc(Cl)cn1)c1cnccc1C(F)(F)F
InChIInChI=1S/C12H9ClF3N3/c13-7-1-2-10(19-5-7)11(17)8-6-18-4-3-9(8)12(14,15)16/h1-6,11H,17H2
InChIKeyGOTZEDKQIOZBIT-UHFFFAOYSA-N
MW287.67 g/mol
LogP3.20
Rot. Bonds2

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

(5-chloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 102708383) has the molecular formula C12H9ClF3N3 and a molecular weight of 287.67 g/mol. Its IUPAC name is (5-chloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name(5-chloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID102708383
Molecular FormulaC12H9ClF3N3
Molecular Weight287.67 g/mol
Exact Mass287.04
IUPAC Name(5-chloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNC(c1ccc(Cl)cn1)c1cnccc1C(F)(F)F
InChIInChI=1S/C12H9ClF3N3/c13-7-1-2-10(19-5-7)11(17)8-6-18-4-3-9(8)12(14,15)16/h1-6,11H,17H2
InChIKeyGOTZEDKQIOZBIT-UHFFFAOYSA-N
XLogP3.20
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.67
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102707952
(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708360
(2-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708099
(3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708429
(2-chloro-6-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710002
(2,3-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709770
(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708046
1-(5-chloro-2-pyridinyl)-2,2,2-trifluoroethanamine
CID 138109393
[(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710376
[(5-chloro-2-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710441
(2-ethoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708459
(5-bromothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708183

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of (5-chloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine (CID 102708383) is (5-chloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for (5-chloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for (5-chloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine is NC(c1ccc(Cl)cn1)c1cnccc1C(F)(F)F.
What is the InChIKey of (5-chloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is GOTZEDKQIOZBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3/c13-7-1-2-10(19-5-7)11(17)8-6-18-4-3-9(8)12(14,15)16/h1-6,11H,17H2.
What are the key properties of (5-chloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
(5-chloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 287.67 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 102708383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).