(4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine

C13H10ClF3N2 — CID 102707952

IUPAC(4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNC(c1ccc(Cl)cc1)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H10ClF3N2/c14-9-3-1-8(2-4-9)12(18)10-7-19-6-5-11(10)13(15,16)17/h1-7,12H,18H2
InChIKeyDNBKWBYOBWWFNG-UHFFFAOYSA-N
MW286.68 g/mol
LogP3.80
Rot. Bonds2

About (4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine

(4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 102707952) has the molecular formula C13H10ClF3N2 and a molecular weight of 286.68 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID102707952
Molecular FormulaC13H10ClF3N2
Molecular Weight286.68 g/mol
Exact Mass286.05
IUPAC Name(4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNC(c1ccc(Cl)cc1)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H10ClF3N2/c14-9-3-1-8(2-4-9)12(18)10-7-19-6-5-11(10)13(15,16)17/h1-7,12H,18H2
InChIKeyDNBKWBYOBWWFNG-UHFFFAOYSA-N
XLogP3.80
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.68
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708429
(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708046
(5-chloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708383
(4-ethylsulfanylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 106848731
(2-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708099
(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708360
(2-chloro-6-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710002
(2,3-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709770
(3-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 105142603
3-[amino-[4-(trifluoromethyl)-3-pyridinyl]methyl]-N,N-dimethylaniline
CID 102709954
[(3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710395
[(5-chloro-2-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710441

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of (4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine (CID 102707952) is (4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for (4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for (4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine is NC(c1ccc(Cl)cc1)c1cnccc1C(F)(F)F.
What is the InChIKey of (4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is DNBKWBYOBWWFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2/c14-9-3-1-8(2-4-9)12(18)10-7-19-6-5-11(10)13(15,16)17/h1-7,12H,18H2.
What are the key properties of (4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
(4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 286.68 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 102707952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).