1-chloro-N-methyl-2H-pyridine-6-carboxamide

C7H9ClN2O — CID 54480289

IUPAC1-chloro-N-methyl-2H-pyridine-6-carboxamide
SMILESCNC(=O)C1=CC=CCN1Cl
InChIInChI=1S/C7H9ClN2O/c1-9-7(11)6-4-2-3-5-10(6)8/h2-4H,5H2,1H3,(H,9,11)
InChIKeyXOMYQANGTBFWOF-UHFFFAOYSA-N
MW172.62 g/mol
LogP0.64
Rot. Bonds1

About 1-chloro-N-methyl-2H-pyridine-6-carboxamide

1-chloro-N-methyl-2H-pyridine-6-carboxamide (PubChem CID 54480289) has the molecular formula C7H9ClN2O and a molecular weight of 172.62 g/mol. Its IUPAC name is 1-chloro-N-methyl-2H-pyridine-6-carboxamide.

Molecular Properties

Compound Name1-chloro-N-methyl-2H-pyridine-6-carboxamide
PubChem CID54480289
Molecular FormulaC7H9ClN2O
Molecular Weight172.62 g/mol
Exact Mass172.04
IUPAC Name1-chloro-N-methyl-2H-pyridine-6-carboxamide
SMILESCNC(=O)C1=CC=CCN1Cl
InChIInChI=1S/C7H9ClN2O/c1-9-7(11)6-4-2-3-5-10(6)8/h2-4H,5H2,1H3,(H,9,11)
InChIKeyXOMYQANGTBFWOF-UHFFFAOYSA-N
XLogP0.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

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CID 322049
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CID 130625163
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CID 132300792
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CID 154848949
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CID 14511042
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CID 21572520
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-methyl-2H-pyridine-6-carboxamide?
The IUPAC name of 1-chloro-N-methyl-2H-pyridine-6-carboxamide (CID 54480289) is 1-chloro-N-methyl-2H-pyridine-6-carboxamide.
What is the SMILES notation for 1-chloro-N-methyl-2H-pyridine-6-carboxamide?
The canonical SMILES for 1-chloro-N-methyl-2H-pyridine-6-carboxamide is CNC(=O)C1=CC=CCN1Cl.
What is the InChIKey of 1-chloro-N-methyl-2H-pyridine-6-carboxamide?
The InChIKey is XOMYQANGTBFWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c1-9-7(11)6-4-2-3-5-10(6)8/h2-4H,5H2,1H3,(H,9,11).
What are the key properties of 1-chloro-N-methyl-2H-pyridine-6-carboxamide?
1-chloro-N-methyl-2H-pyridine-6-carboxamide has a molecular weight of 172.62 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-methyl-2H-pyridine-6-carboxamide is sourced from PubChem (CID 54480289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).