5-(chloromethyl)-2,6-dimethylpyridine-3-carboxamide

C9H11ClN2O — CID 150585781

IUPAC5-(chloromethyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1nc(C)c(C(N)=O)cc1CCl
InChIInChI=1S/C9H11ClN2O/c1-5-7(4-10)3-8(9(11)13)6(2)12-5/h3H,4H2,1-2H3,(H2,11,13)
InChIKeyIOUPDXDVJZDNBG-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.54
Rot. Bonds2

About 5-(chloromethyl)-2,6-dimethylpyridine-3-carboxamide

5-(chloromethyl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 150585781) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 5-(chloromethyl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(chloromethyl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID150585781
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name5-(chloromethyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1nc(C)c(C(N)=O)cc1CCl
InChIInChI=1S/C9H11ClN2O/c1-5-7(4-10)3-8(9(11)13)6(2)12-5/h3H,4H2,1-2H3,(H2,11,13)
InChIKeyIOUPDXDVJZDNBG-UHFFFAOYSA-N
XLogP1.54
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(5-carbamoyl-2,6-dimethyl-3-pyridinyl)acetate
CID 151319204
1-[5-(chloromethyl)-3,6-dimethyl-2-pyridinyl]ethanone
CID 130047732
5-(chloromethyl)-6-(difluoromethyl)-2-methylpyridine-3-carboxylic acid
CID 130090507
6-(difluoromethyl)-5-hydroxy-2-methylpyridine-3-carboxamide
CID 118837404
5,6-dimethoxy-2-methylpyridine-3-carboxamide
CID 174786229
2,6-dimethylpyridine-3-carboxamide
CID 2824850
6-(aminomethyl)-2-methylpyridine-3-carboxamide;hydrochloride
CID 130677919
2,6-dimethylpyridine-3-carboxamide;hydrochloride
CID 67300853
6-fluoro-2-methylquinoline-3-carboxamide
CID 945082
3-bromo-2-chloro-5-(chloromethyl)-6-methylpyridine
CID 130139788
5-methoxy-2-methyl-6-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 90102182
2-tert-butyl-3-(chloromethyl)benzamide
CID 68727672

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 5-(chloromethyl)-2,6-dimethylpyridine-3-carboxamide (CID 150585781) is 5-(chloromethyl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 5-(chloromethyl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 5-(chloromethyl)-2,6-dimethylpyridine-3-carboxamide is Cc1nc(C)c(C(N)=O)cc1CCl.
What is the InChIKey of 5-(chloromethyl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is IOUPDXDVJZDNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-5-7(4-10)3-8(9(11)13)6(2)12-5/h3H,4H2,1-2H3,(H2,11,13).
What are the key properties of 5-(chloromethyl)-2,6-dimethylpyridine-3-carboxamide?
5-(chloromethyl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 198.65 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 150585781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).