6-chloro-N,N-dimethylpyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride

C14H12Cl3N3O2 — CID 159595421

IUPAC6-chloro-N,N-dimethylpyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride
SMILESCN(C)C(=O)c1ccc(Cl)nc1.O=C(Cl)c1ccc(Cl)nc1
InChIInChI=1S/C8H9ClN2O.C6H3Cl2NO/c1-11(2)8(12)6-3-4-7(9)10-5-6;7-5-2-1-4(3-9-5)6(8)10/h3-5H,1-2H3;1-3H
InChIKeyMKTVSRTXJZPVEJ-UHFFFAOYSA-N
MW360.63 g/mol
LogP3.55
Rot. Bonds2

About 6-chloro-N,N-dimethylpyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride

6-chloro-N,N-dimethylpyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride (PubChem CID 159595421) has the molecular formula C14H12Cl3N3O2 and a molecular weight of 360.63 g/mol. Its IUPAC name is 6-chloro-N,N-dimethylpyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-chloro-N,N-dimethylpyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride
PubChem CID159595421
Molecular FormulaC14H12Cl3N3O2
Molecular Weight360.63 g/mol
Exact Mass359.00
IUPAC Name6-chloro-N,N-dimethylpyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride
SMILESCN(C)C(=O)c1ccc(Cl)nc1.O=C(Cl)c1ccc(Cl)nc1
InChIInChI=1S/C8H9ClN2O.C6H3Cl2NO/c1-11(2)8(12)6-3-4-7(9)10-5-6;7-5-2-1-4(3-9-5)6(8)10/h3-5H,1-2H3;1-3H
InChIKeyMKTVSRTXJZPVEJ-UHFFFAOYSA-N
XLogP3.55
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.63
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;hydrochloride
CID 158925044
6-chloro-N-methyl-N-propylpyridine-3-carboxamide
CID 43271303
6-chloro-N-(4-chlorophenyl)-N-methylpyridine-3-carboxamide
CID 18419490
2-[(6-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 62818473
6-(dimethylamino)pyridine-3-carbonyl chloride
CID 45081550
6-chloro-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridine-3-carboxamide
CID 71983520
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2673687
methyl 4-[[(6-chloropyridine-3-carbonyl)-methylamino]methyl]benzoate
CID 37417334
6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 61381204
6-chloro-N'-(2-methoxyacetyl)-N,N'-dimethylpyridine-3-carbohydrazide;ethane
CID 143019170
methyl 3-[(6-chloropyridine-3-carbonyl)-methylamino]propanoate
CID 55031186
N-butan-2-yl-6-chloro-N-ethylpyridine-3-carboxamide
CID 43274567

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-dimethylpyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride?
The IUPAC name of 6-chloro-N,N-dimethylpyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride (CID 159595421) is 6-chloro-N,N-dimethylpyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride.
What is the SMILES notation for 6-chloro-N,N-dimethylpyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride?
The canonical SMILES for 6-chloro-N,N-dimethylpyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride is CN(C)C(=O)c1ccc(Cl)nc1.O=C(Cl)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N,N-dimethylpyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride?
The InChIKey is MKTVSRTXJZPVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O.C6H3Cl2NO/c1-11(2)8(12)6-3-4-7(9)10-5-6;7-5-2-1-4(3-9-5)6(8)10/h3-5H,1-2H3;1-3H.
What are the key properties of 6-chloro-N,N-dimethylpyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride?
6-chloro-N,N-dimethylpyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride has a molecular weight of 360.63 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-dimethylpyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride is sourced from PubChem (CID 159595421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).