(3-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine

C13H10ClF3N2 — CID 105142603

IUPAC(3-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(C(F)(F)F)cc1)c1ccncc1Cl
InChIInChI=1S/C13H10ClF3N2/c14-11-7-19-6-5-10(11)12(18)8-1-3-9(4-2-8)13(15,16)17/h1-7,12H,18H2
InChIKeyVJGISHVJFAXWMK-UHFFFAOYSA-N
MW286.68 g/mol
LogP3.80
Rot. Bonds2

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

(3-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 105142603) has the molecular formula C13H10ClF3N2 and a molecular weight of 286.68 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID105142603
Molecular FormulaC13H10ClF3N2
Molecular Weight286.68 g/mol
Exact Mass286.05
IUPAC Name(3-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(C(F)(F)F)cc1)c1ccncc1Cl
InChIInChI=1S/C13H10ClF3N2/c14-11-7-19-6-5-10(11)12(18)8-1-3-9(4-2-8)13(15,16)17/h1-7,12H,18H2
InChIKeyVJGISHVJFAXWMK-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-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758356
(2,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 61273169
(4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102707952
1-(3-chloro-4-pyridinyl)-4,4,4-trifluorobutan-1-amine
CID 112631132
(3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708429
(1R)-1-(3-chloro-4-pyridinyl)-2,2-difluoroethanamine
CID 131150469
(3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanamine
CID 105143419
(1R)-1-(3-chloro-4-pyridinyl)-2-fluoroethanamine;hydrochloride
CID 171218336
(3-chloro-4-pyridinyl)-(3-methoxyphenyl)methanamine
CID 105086338
1-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine
CID 105140506
(2-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708099
(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 80529980

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (3-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine (CID 105142603) is (3-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (3-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (3-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine is NC(c1ccc(C(F)(F)F)cc1)c1ccncc1Cl.
What is the InChIKey of (3-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is VJGISHVJFAXWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2/c14-11-7-19-6-5-10(11)12(18)8-1-3-9(4-2-8)13(15,16)17/h1-7,12H,18H2.
What are the key properties of (3-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine?
(3-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]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 (3-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 105142603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).