2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride

C9H10ClF3N2 — CID 57445256

IUPAC2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride
SMILESCl.FC(F)(F)c1ccc2c(n1)CCNC2
InChIInChI=1S/C9H9F3N2.ClH/c10-9(11,12)8-2-1-6-5-13-4-3-7(6)14-8;/h1-2,13H,3-5H2;1H
InChIKeyCZBDSVSNEMGVSY-UHFFFAOYSA-N
MW238.64 g/mol
LogP2.17
Rot. Bonds

About 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride

2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride (PubChem CID 57445256) has the molecular formula C9H10ClF3N2 and a molecular weight of 238.64 g/mol. Its IUPAC name is 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride.

Molecular Properties

Compound Name2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride
PubChem CID57445256
Molecular FormulaC9H10ClF3N2
Molecular Weight238.64 g/mol
Exact Mass238.05
IUPAC Name2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride
SMILESCl.FC(F)(F)c1ccc2c(n1)CCNC2
InChIInChI=1S/C9H9F3N2.ClH/c10-9(11,12)8-2-1-6-5-13-4-3-7(6)14-8;/h1-2,13H,3-5H2;1H
InChIKeyCZBDSVSNEMGVSY-UHFFFAOYSA-N
XLogP2.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.64
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride?
The IUPAC name of 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride (CID 57445256) is 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride.
What is the SMILES notation for 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride?
The canonical SMILES for 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride is Cl.FC(F)(F)c1ccc2c(n1)CCNC2.
What is the InChIKey of 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride?
The InChIKey is CZBDSVSNEMGVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2.ClH/c10-9(11,12)8-2-1-6-5-13-4-3-7(6)14-8;/h1-2,13H,3-5H2;1H.
What are the key properties of 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride?
2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride has a molecular weight of 238.64 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride is sourced from PubChem (CID 57445256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).