[6-chloro-4-(trifluoromethyl)-2-pyridinyl]methanamine

C7H6ClF3N2 — CID 57365275

IUPAC[6-chloro-4-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESNCc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C7H6ClF3N2/c8-6-2-4(7(9,10)11)1-5(3-12)13-6/h1-2H,3,12H2
InChIKeyHCDVODVEQJRQGX-UHFFFAOYSA-N
MW210.59 g/mol
LogP2.21
Rot. Bonds1

About [6-chloro-4-(trifluoromethyl)-2-pyridinyl]methanamine

[6-chloro-4-(trifluoromethyl)-2-pyridinyl]methanamine (PubChem CID 57365275) has the molecular formula C7H6ClF3N2 and a molecular weight of 210.59 g/mol. Its IUPAC name is [6-chloro-4-(trifluoromethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-chloro-4-(trifluoromethyl)-2-pyridinyl]methanamine
PubChem CID57365275
Molecular FormulaC7H6ClF3N2
Molecular Weight210.59 g/mol
Exact Mass210.02
IUPAC Name[6-chloro-4-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESNCc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C7H6ClF3N2/c8-6-2-4(7(9,10)11)1-5(3-12)13-6/h1-2H,3,12H2
InChIKeyHCDVODVEQJRQGX-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-4-(trifluoromethyl)-2-pyridinyl]methanamine?
The IUPAC name of [6-chloro-4-(trifluoromethyl)-2-pyridinyl]methanamine (CID 57365275) is [6-chloro-4-(trifluoromethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [6-chloro-4-(trifluoromethyl)-2-pyridinyl]methanamine?
The canonical SMILES for [6-chloro-4-(trifluoromethyl)-2-pyridinyl]methanamine is NCc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of [6-chloro-4-(trifluoromethyl)-2-pyridinyl]methanamine?
The InChIKey is HCDVODVEQJRQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2/c8-6-2-4(7(9,10)11)1-5(3-12)13-6/h1-2H,3,12H2.
What are the key properties of [6-chloro-4-(trifluoromethyl)-2-pyridinyl]methanamine?
[6-chloro-4-(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 [6-chloro-4-(trifluoromethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 57365275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).