5-chloro-4-(trifluoromethyl)pyridin-2-amine;hydrochloride

C6H5Cl2F3N2 — CID 66739969

IUPAC5-chloro-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
SMILESCl.Nc1cc(C(F)(F)F)c(Cl)cn1
InChIInChI=1S/C6H4ClF3N2.ClH/c7-4-2-12-5(11)1-3(4)6(8,9)10;/h1-2H,(H2,11,12);1H
InChIKeyBGFRWTOLXXYTIQ-UHFFFAOYSA-N
MW233.02 g/mol
LogP2.76
Rot. Bonds

About 5-chloro-4-(trifluoromethyl)pyridin-2-amine;hydrochloride

5-chloro-4-(trifluoromethyl)pyridin-2-amine;hydrochloride (PubChem CID 66739969) has the molecular formula C6H5Cl2F3N2 and a molecular weight of 233.02 g/mol. Its IUPAC name is 5-chloro-4-(trifluoromethyl)pyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-chloro-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
PubChem CID66739969
Molecular FormulaC6H5Cl2F3N2
Molecular Weight233.02 g/mol
Exact Mass231.98
IUPAC Name5-chloro-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
SMILESCl.Nc1cc(C(F)(F)F)c(Cl)cn1
InChIInChI=1S/C6H4ClF3N2.ClH/c7-4-2-12-5(11)1-3(4)6(8,9)10;/h1-2H,(H2,11,12);1H
InChIKeyBGFRWTOLXXYTIQ-UHFFFAOYSA-N
XLogP2.76
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.02
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(trifluoromethyl)pyridin-2-amine;hydrochloride?
The IUPAC name of 5-chloro-4-(trifluoromethyl)pyridin-2-amine;hydrochloride (CID 66739969) is 5-chloro-4-(trifluoromethyl)pyridin-2-amine;hydrochloride.
What is the SMILES notation for 5-chloro-4-(trifluoromethyl)pyridin-2-amine;hydrochloride?
The canonical SMILES for 5-chloro-4-(trifluoromethyl)pyridin-2-amine;hydrochloride is Cl.Nc1cc(C(F)(F)F)c(Cl)cn1.
What is the InChIKey of 5-chloro-4-(trifluoromethyl)pyridin-2-amine;hydrochloride?
The InChIKey is BGFRWTOLXXYTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2.ClH/c7-4-2-12-5(11)1-3(4)6(8,9)10;/h1-2H,(H2,11,12);1H.
What are the key properties of 5-chloro-4-(trifluoromethyl)pyridin-2-amine;hydrochloride?
5-chloro-4-(trifluoromethyl)pyridin-2-amine;hydrochloride has a molecular weight of 233.02 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(trifluoromethyl)pyridin-2-amine;hydrochloride is sourced from PubChem (CID 66739969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).