3-bromo-6-chloro-N-methoxy-N-methylpyridine-2-carboxamide

C8H8BrClN2O2 — CID 86666725

IUPAC3-bromo-6-chloro-N-methoxy-N-methylpyridine-2-carboxamide
SMILESCON(C)C(=O)c1nc(Cl)ccc1Br
InChIInChI=1S/C8H8BrClN2O2/c1-12(14-2)8(13)7-5(9)3-4-6(10)11-7/h3-4H,1-2H3
InChIKeyOMTSHRYWNVFKCR-UHFFFAOYSA-N
MW279.52 g/mol
LogP2.13
Rot. Bonds2

About 3-bromo-6-chloro-N-methoxy-N-methylpyridine-2-carboxamide

3-bromo-6-chloro-N-methoxy-N-methylpyridine-2-carboxamide (PubChem CID 86666725) has the molecular formula C8H8BrClN2O2 and a molecular weight of 279.52 g/mol. Its IUPAC name is 3-bromo-6-chloro-N-methoxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-6-chloro-N-methoxy-N-methylpyridine-2-carboxamide
PubChem CID86666725
Molecular FormulaC8H8BrClN2O2
Molecular Weight279.52 g/mol
Exact Mass277.95
IUPAC Name3-bromo-6-chloro-N-methoxy-N-methylpyridine-2-carboxamide
SMILESCON(C)C(=O)c1nc(Cl)ccc1Br
InChIInChI=1S/C8H8BrClN2O2/c1-12(14-2)8(13)7-5(9)3-4-6(10)11-7/h3-4H,1-2H3
InChIKeyOMTSHRYWNVFKCR-UHFFFAOYSA-N
XLogP2.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.52
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 60644776
6-chloro-N-methoxy-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide
CID 172555899
3-chloro-N,6-dimethoxy-N-methylpyridine-2-carboxamide
CID 171547824
3-bromo-5-fluoro-N-methoxy-N-methylpyridine-2-carboxamide
CID 133054949
4-bromo-2,3-difluoro-N-methoxy-N-methylbenzamide
CID 171366673
6-chloro-N,N,3-trimethylpyridine-2-carboxamide
CID 129104169
2-bromo-N-methoxy-N-methylbenzamide
CID 46318655
2-chloro-N-methoxy-N,6-dimethylpyridine-3-carboxamide
CID 53416990
2-chloro-N,6-dimethoxy-N-methylpyridine-3-carboxamide
CID 129138511
5-bromo-3-hydroxy-N-methoxy-N-methylpyridine-2-carboxamide
CID 133061431
4,5-dichloro-N-methoxy-N-methyl-1,2-thiazole-3-carboxamide
CID 59705066
5-chloro-3-fluoro-N-methoxy-N-methylpyridine-2-carboxamide
CID 86715759

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-chloro-N-methoxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 3-bromo-6-chloro-N-methoxy-N-methylpyridine-2-carboxamide (CID 86666725) is 3-bromo-6-chloro-N-methoxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-6-chloro-N-methoxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3-bromo-6-chloro-N-methoxy-N-methylpyridine-2-carboxamide is CON(C)C(=O)c1nc(Cl)ccc1Br.
What is the InChIKey of 3-bromo-6-chloro-N-methoxy-N-methylpyridine-2-carboxamide?
The InChIKey is OMTSHRYWNVFKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN2O2/c1-12(14-2)8(13)7-5(9)3-4-6(10)11-7/h3-4H,1-2H3.
What are the key properties of 3-bromo-6-chloro-N-methoxy-N-methylpyridine-2-carboxamide?
3-bromo-6-chloro-N-methoxy-N-methylpyridine-2-carboxamide has a molecular weight of 279.52 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-chloro-N-methoxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 86666725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).