4-chloro-N-methylpyridine-2-carboxamide;hydrochloride

C7H8Cl2N2O — CID 46781006

IUPAC4-chloro-N-methylpyridine-2-carboxamide;hydrochloride
SMILESCNC(=O)c1cc(Cl)ccn1.Cl
InChIInChI=1S/C7H7ClN2O.ClH/c1-9-7(11)6-4-5(8)2-3-10-6;/h2-4H,1H3,(H,9,11);1H
InChIKeyXGHILPUCRYAWIN-UHFFFAOYSA-N
MW207.06 g/mol
LogP1.52
Rot. Bonds1

About 4-chloro-N-methylpyridine-2-carboxamide;hydrochloride

4-chloro-N-methylpyridine-2-carboxamide;hydrochloride (PubChem CID 46781006) has the molecular formula C7H8Cl2N2O and a molecular weight of 207.06 g/mol. Its IUPAC name is 4-chloro-N-methylpyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-methylpyridine-2-carboxamide;hydrochloride
PubChem CID46781006
Molecular FormulaC7H8Cl2N2O
Molecular Weight207.06 g/mol
Exact Mass206.00
IUPAC Name4-chloro-N-methylpyridine-2-carboxamide;hydrochloride
SMILESCNC(=O)c1cc(Cl)ccn1.Cl
InChIInChI=1S/C7H7ClN2O.ClH/c1-9-7(11)6-4-5(8)2-3-10-6;/h2-4H,1H3,(H,9,11);1H
InChIKeyXGHILPUCRYAWIN-UHFFFAOYSA-N
XLogP1.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methylpyridine-2-carboxamide;hydrochloride?
The IUPAC name of 4-chloro-N-methylpyridine-2-carboxamide;hydrochloride (CID 46781006) is 4-chloro-N-methylpyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-methylpyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-chloro-N-methylpyridine-2-carboxamide;hydrochloride is CNC(=O)c1cc(Cl)ccn1.Cl.
What is the InChIKey of 4-chloro-N-methylpyridine-2-carboxamide;hydrochloride?
The InChIKey is XGHILPUCRYAWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O.ClH/c1-9-7(11)6-4-5(8)2-3-10-6;/h2-4H,1H3,(H,9,11);1H.
What are the key properties of 4-chloro-N-methylpyridine-2-carboxamide;hydrochloride?
4-chloro-N-methylpyridine-2-carboxamide;hydrochloride has a molecular weight of 207.06 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methylpyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 46781006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).