2H-pyridine-1-carboxamide;hydrochloride

C6H9ClN2O — CID 141005861

IUPAC2H-pyridine-1-carboxamide;hydrochloride
SMILESCl.NC(=O)N1C=CC=CC1
InChIInChI=1S/C6H8N2O.ClH/c7-6(9)8-4-2-1-3-5-8;/h1-4H,5H2,(H2,7,9);1H
InChIKeyCQQONTJBCVMXDP-UHFFFAOYSA-N
MW160.60 g/mol
LogP0.87
Rot. Bonds

About 2H-pyridine-1-carboxamide;hydrochloride

2H-pyridine-1-carboxamide;hydrochloride (PubChem CID 141005861) has the molecular formula C6H9ClN2O and a molecular weight of 160.60 g/mol. Its IUPAC name is 2H-pyridine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2H-pyridine-1-carboxamide;hydrochloride
PubChem CID141005861
Molecular FormulaC6H9ClN2O
Molecular Weight160.60 g/mol
Exact Mass160.04
IUPAC Name2H-pyridine-1-carboxamide;hydrochloride
SMILESCl.NC(=O)N1C=CC=CC1
InChIInChI=1S/C6H8N2O.ClH/c7-6(9)8-4-2-1-3-5-8;/h1-4H,5H2,(H2,7,9);1H
InChIKeyCQQONTJBCVMXDP-UHFFFAOYSA-N
XLogP0.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2H-pyridine-1-carboxamide;hydrochloride?
The IUPAC name of 2H-pyridine-1-carboxamide;hydrochloride (CID 141005861) is 2H-pyridine-1-carboxamide;hydrochloride.
What is the SMILES notation for 2H-pyridine-1-carboxamide;hydrochloride?
The canonical SMILES for 2H-pyridine-1-carboxamide;hydrochloride is Cl.NC(=O)N1C=CC=CC1.
What is the InChIKey of 2H-pyridine-1-carboxamide;hydrochloride?
The InChIKey is CQQONTJBCVMXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.ClH/c7-6(9)8-4-2-1-3-5-8;/h1-4H,5H2,(H2,7,9);1H.
What are the key properties of 2H-pyridine-1-carboxamide;hydrochloride?
2H-pyridine-1-carboxamide;hydrochloride has a molecular weight of 160.60 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyridine-1-carboxamide;hydrochloride is sourced from PubChem (CID 141005861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).