2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butan-1-amine;hydrochloride

C10H13Cl2F3N2 — CID 66798194

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butan-1-amine;hydrochloride
SMILESCCC(CN)c1ncc(C(F)(F)F)cc1Cl.Cl
InChIInChI=1S/C10H12ClF3N2.ClH/c1-2-6(4-15)9-8(11)3-7(5-16-9)10(12,13)14;/h3,5-6H,2,4,15H2,1H3;1H
InChIKeyGHAHYLPKOLWBSB-UHFFFAOYSA-N
MW289.13 g/mol
LogP3.63
Rot. Bonds3

About 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butan-1-amine;hydrochloride

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butan-1-amine;hydrochloride (PubChem CID 66798194) has the molecular formula C10H13Cl2F3N2 and a molecular weight of 289.13 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butan-1-amine;hydrochloride
PubChem CID66798194
Molecular FormulaC10H13Cl2F3N2
Molecular Weight289.13 g/mol
Exact Mass288.04
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butan-1-amine;hydrochloride
SMILESCCC(CN)c1ncc(C(F)(F)F)cc1Cl.Cl
InChIInChI=1S/C10H12ClF3N2.ClH/c1-2-6(4-15)9-8(11)3-7(5-16-9)10(12,13)14;/h3,5-6H,2,4,15H2,1H3;1H
InChIKeyGHAHYLPKOLWBSB-UHFFFAOYSA-N
XLogP3.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butan-1-amine;hydrochloride?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butan-1-amine;hydrochloride (CID 66798194) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butan-1-amine;hydrochloride.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butan-1-amine;hydrochloride?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butan-1-amine;hydrochloride is CCC(CN)c1ncc(C(F)(F)F)cc1Cl.Cl.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butan-1-amine;hydrochloride?
The InChIKey is GHAHYLPKOLWBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2.ClH/c1-2-6(4-15)9-8(11)3-7(5-16-9)10(12,13)14;/h3,5-6H,2,4,15H2,1H3;1H.
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butan-1-amine;hydrochloride?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butan-1-amine;hydrochloride has a molecular weight of 289.13 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butan-1-amine;hydrochloride is sourced from PubChem (CID 66798194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).