N-(3-chlorophenyl)pyridine-2-carboxamide;hydrochloride

C12H10Cl2N2O — CID 56587900

IUPACN-(3-chlorophenyl)pyridine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(Cl)c1)c1ccccn1
InChIInChI=1S/C12H9ClN2O.ClH/c13-9-4-3-5-10(8-9)15-12(16)11-6-1-2-7-14-11;/h1-8H,(H,15,16);1H
InChIKeyCZNNJOSFWZBQKH-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.41
Rot. Bonds2

About N-(3-chlorophenyl)pyridine-2-carboxamide;hydrochloride

N-(3-chlorophenyl)pyridine-2-carboxamide;hydrochloride (PubChem CID 56587900) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is N-(3-chlorophenyl)pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-chlorophenyl)pyridine-2-carboxamide;hydrochloride
PubChem CID56587900
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC NameN-(3-chlorophenyl)pyridine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(Cl)c1)c1ccccn1
InChIInChI=1S/C12H9ClN2O.ClH/c13-9-4-3-5-10(8-9)15-12(16)11-6-1-2-7-14-11;/h1-8H,(H,15,16);1H
InChIKeyCZNNJOSFWZBQKH-UHFFFAOYSA-N
XLogP3.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)pyridine-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-chlorophenyl)pyridine-2-carboxamide;hydrochloride (CID 56587900) is N-(3-chlorophenyl)pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-chlorophenyl)pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-chlorophenyl)pyridine-2-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(Cl)c1)c1ccccn1.
What is the InChIKey of N-(3-chlorophenyl)pyridine-2-carboxamide;hydrochloride?
The InChIKey is CZNNJOSFWZBQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O.ClH/c13-9-4-3-5-10(8-9)15-12(16)11-6-1-2-7-14-11;/h1-8H,(H,15,16);1H.
What are the key properties of N-(3-chlorophenyl)pyridine-2-carboxamide;hydrochloride?
N-(3-chlorophenyl)pyridine-2-carboxamide;hydrochloride has a molecular weight of 269.13 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 56587900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).