2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)furan-3-carboxamide

C11H8BrClN2O2 — CID 107091817

IUPAC2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)furan-3-carboxamide
SMILESCc1cc(NC(=O)c2ccoc2Br)cnc1Cl
InChIInChI=1S/C11H8BrClN2O2/c1-6-4-7(5-14-10(6)13)15-11(16)8-2-3-17-9(8)12/h2-5H,1H3,(H,15,16)
InChIKeyMOXFIGJNGNMOPQ-UHFFFAOYSA-N
MW315.55 g/mol
LogP3.65
Rot. Bonds2

About 2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)furan-3-carboxamide

2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)furan-3-carboxamide (PubChem CID 107091817) has the molecular formula C11H8BrClN2O2 and a molecular weight of 315.55 g/mol. Its IUPAC name is 2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)furan-3-carboxamide
PubChem CID107091817
Molecular FormulaC11H8BrClN2O2
Molecular Weight315.55 g/mol
Exact Mass313.95
IUPAC Name2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)furan-3-carboxamide
SMILESCc1cc(NC(=O)c2ccoc2Br)cnc1Cl
InChIInChI=1S/C11H8BrClN2O2/c1-6-4-7(5-14-10(6)13)15-11(16)8-2-3-17-9(8)12/h2-5H,1H3,(H,15,16)
InChIKeyMOXFIGJNGNMOPQ-UHFFFAOYSA-N
XLogP3.65
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.55
LogP ≤ 53.65
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

2-bromo-5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)benzamide
CID 103745291
5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzamide
CID 103842318
2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-5-fluorobenzamide
CID 113250431
4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide
CID 114049068
4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-2-methoxybenzamide
CID 103745322
5-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-4-methylthiophene-2-carboxamide
CID 103745343
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoro-5-methylbenzamide
CID 113250442
2-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-methylbenzamide
CID 113434241
N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide
CID 103730447
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoropyridine-3-carboxamide
CID 107363154
N-(6-chloro-5-methyl-3-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 103745275
N-(6-chloro-5-methyl-3-pyridinyl)-3-hydroxypyridine-2-carboxamide
CID 104954751

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)furan-3-carboxamide (CID 107091817) is 2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)furan-3-carboxamide is Cc1cc(NC(=O)c2ccoc2Br)cnc1Cl.
What is the InChIKey of 2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)furan-3-carboxamide?
The InChIKey is MOXFIGJNGNMOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O2/c1-6-4-7(5-14-10(6)13)15-11(16)8-2-3-17-9(8)12/h2-5H,1H3,(H,15,16).
What are the key properties of 2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)furan-3-carboxamide?
2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)furan-3-carboxamide has a molecular weight of 315.55 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)furan-3-carboxamide is sourced from PubChem (CID 107091817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).