6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carboxamide

C8H7BrF2N2O2 — CID 118992492

IUPAC6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carboxamide
SMILESCOc1cc(C(F)F)c(C(N)=O)nc1Br
InChIInChI=1S/C8H7BrF2N2O2/c1-15-4-2-3(7(10)11)5(8(12)14)13-6(4)9/h2,7H,1H3,(H2,12,14)
InChIKeySIOBHJFOXKFNQF-UHFFFAOYSA-N
MW281.06 g/mol
LogP1.89
Rot. Bonds3

About 6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carboxamide

6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carboxamide (PubChem CID 118992492) has the molecular formula C8H7BrF2N2O2 and a molecular weight of 281.06 g/mol. Its IUPAC name is 6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carboxamide
PubChem CID118992492
Molecular FormulaC8H7BrF2N2O2
Molecular Weight281.06 g/mol
Exact Mass279.97
IUPAC Name6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carboxamide
SMILESCOc1cc(C(F)F)c(C(N)=O)nc1Br
InChIInChI=1S/C8H7BrF2N2O2/c1-15-4-2-3(7(10)11)5(8(12)14)13-6(4)9/h2,7H,1H3,(H2,12,14)
InChIKeySIOBHJFOXKFNQF-UHFFFAOYSA-N
XLogP1.89
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.06
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride
CID 134670863
3-(difluoromethyl)-5-methoxy-6-methylpyridine-2-carboxamide
CID 133098966
6-chloro-3-(difluoromethyl)-5-methoxypyridine-2-carboxamide
CID 119005525
6-bromo-5-(difluoromethyl)-3-methoxypyridine-2-carbonyl chloride
CID 134675810
[6-bromo-3-(difluoromethyl)-5-methoxy-2-pyridinyl]methanol
CID 119000833
3,6-dibromo-5-(difluoromethyl)pyridine-2-carboxamide
CID 119025298
6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride
CID 130069001
2-[6-bromo-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid
CID 119012480
4-(difluoromethyl)-3-hydroxy-6-methoxypyridine-2-carboxamide
CID 118829275
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carboxamide
CID 118840796
6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxamide
CID 130085884
2-bromo-6-(difluoromethyl)-5-fluoro-3-methoxypyridine
CID 119009048

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carboxamide?
The IUPAC name of 6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carboxamide (CID 118992492) is 6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carboxamide?
The canonical SMILES for 6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carboxamide is COc1cc(C(F)F)c(C(N)=O)nc1Br.
What is the InChIKey of 6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carboxamide?
The InChIKey is SIOBHJFOXKFNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2N2O2/c1-15-4-2-3(7(10)11)5(8(12)14)13-6(4)9/h2,7H,1H3,(H2,12,14).
What are the key properties of 6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carboxamide?
6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carboxamide has a molecular weight of 281.06 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carboxamide is sourced from PubChem (CID 118992492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).