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

C7H6ClF3N2 — CID 11085087

IUPAC[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESNCc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H6ClF3N2/c8-5-1-4(7(9,10)11)3-13-6(5)2-12/h1,3H,2,12H2
InChIKeyJVQYWHGODHSTAM-UHFFFAOYSA-N
MW210.59 g/mol
LogP2.21
Rot. Bonds1

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

[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine (PubChem CID 11085087) has the molecular formula C7H6ClF3N2 and a molecular weight of 210.59 g/mol. Its IUPAC name is [3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine
PubChem CID11085087
Molecular FormulaC7H6ClF3N2
Molecular Weight210.59 g/mol
Exact Mass210.02
IUPAC Name[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESNCc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H6ClF3N2/c8-5-1-4(7(9,10)11)3-13-6(5)2-12/h1,3H,2,12H2
InChIKeyJVQYWHGODHSTAM-UHFFFAOYSA-N
XLogP2.21
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.59
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine?
The IUPAC name of [3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine (CID 11085087) is [3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine?
The canonical SMILES for [3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine is NCc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of [3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine?
The InChIKey is JVQYWHGODHSTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2/c8-5-1-4(7(9,10)11)3-13-6(5)2-12/h1,3H,2,12H2.
What are the key properties of [3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine?
[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine has a molecular weight of 210.59 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 11085087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).