3-pyridin-3-ylbenzamide;hydrochloride

C12H11ClN2O — CID 175813431

IUPAC3-pyridin-3-ylbenzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C12H10N2O.ClH/c13-12(15)10-4-1-3-9(7-10)11-5-2-6-14-8-11;/h1-8H,(H2,13,15);1H
InChIKeyJVPOFYGTZIYRSY-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.27
Rot. Bonds2

About 3-pyridin-3-ylbenzamide;hydrochloride

3-pyridin-3-ylbenzamide;hydrochloride (PubChem CID 175813431) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 3-pyridin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-pyridin-3-ylbenzamide;hydrochloride
PubChem CID175813431
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name3-pyridin-3-ylbenzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C12H10N2O.ClH/c13-12(15)10-4-1-3-9(7-10)11-5-2-6-14-8-11;/h1-8H,(H2,13,15);1H
InChIKeyJVPOFYGTZIYRSY-UHFFFAOYSA-N
XLogP2.27
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-ylbenzamide;hydrochloride?
The IUPAC name of 3-pyridin-3-ylbenzamide;hydrochloride (CID 175813431) is 3-pyridin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 3-pyridin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 3-pyridin-3-ylbenzamide;hydrochloride is Cl.NC(=O)c1cccc(-c2cccnc2)c1.
What is the InChIKey of 3-pyridin-3-ylbenzamide;hydrochloride?
The InChIKey is JVPOFYGTZIYRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O.ClH/c13-12(15)10-4-1-3-9(7-10)11-5-2-6-14-8-11;/h1-8H,(H2,13,15);1H.
What are the key properties of 3-pyridin-3-ylbenzamide;hydrochloride?
3-pyridin-3-ylbenzamide;hydrochloride has a molecular weight of 234.69 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 175813431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).