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

C7H7Cl2F3N2 — CID 11499744

IUPAC[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine;hydrochloride
SMILESCl.NCc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H6ClF3N2.ClH/c8-5-1-4(7(9,10)11)3-13-6(5)2-12;/h1,3H,2,12H2;1H
InChIKeyDIEGHTBYTFRSDU-UHFFFAOYSA-N
MW247.05 g/mol
LogP2.63
Rot. Bonds1

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

[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine;hydrochloride (PubChem CID 11499744) has the molecular formula C7H7Cl2F3N2 and a molecular weight of 247.05 g/mol. Its IUPAC name is [3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine;hydrochloride
PubChem CID11499744
Molecular FormulaC7H7Cl2F3N2
Molecular Weight247.05 g/mol
Exact Mass245.99
IUPAC Name[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine;hydrochloride
SMILESCl.NCc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H6ClF3N2.ClH/c8-5-1-4(7(9,10)11)3-13-6(5)2-12;/h1,3H,2,12H2;1H
InChIKeyDIEGHTBYTFRSDU-UHFFFAOYSA-N
XLogP2.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.05
LogP ≤ 52.63
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;hydrochloride?
The IUPAC name of [3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine;hydrochloride (CID 11499744) is [3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine;hydrochloride.
What is the SMILES notation for [3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine;hydrochloride?
The canonical SMILES for [3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine;hydrochloride is Cl.NCc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of [3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine;hydrochloride?
The InChIKey is DIEGHTBYTFRSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2.ClH/c8-5-1-4(7(9,10)11)3-13-6(5)2-12;/h1,3H,2,12H2;1H.
What are the key properties of [3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine;hydrochloride?
[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine;hydrochloride has a molecular weight of 247.05 g/mol, XLogP of 2.63, 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;hydrochloride is sourced from PubChem (CID 11499744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).