N-(6-bromo-2-methyl-3-pyridinyl)-2-fluoropyridine-3-carboxamide

C12H9BrFN3O — CID 114050876

IUPACN-(6-bromo-2-methyl-3-pyridinyl)-2-fluoropyridine-3-carboxamide
SMILESCc1nc(Br)ccc1NC(=O)c1cccnc1F
InChIInChI=1S/C12H9BrFN3O/c1-7-9(4-5-10(13)16-7)17-12(18)8-3-2-6-15-11(8)14/h2-6H,1H3,(H,17,18)
InChIKeyBJPCCBLUFLLYMJ-UHFFFAOYSA-N
MW310.13 g/mol
LogP2.94
Rot. Bonds2

About N-(6-bromo-2-methyl-3-pyridinyl)-2-fluoropyridine-3-carboxamide

N-(6-bromo-2-methyl-3-pyridinyl)-2-fluoropyridine-3-carboxamide (PubChem CID 114050876) has the molecular formula C12H9BrFN3O and a molecular weight of 310.13 g/mol. Its IUPAC name is N-(6-bromo-2-methyl-3-pyridinyl)-2-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-2-methyl-3-pyridinyl)-2-fluoropyridine-3-carboxamide
PubChem CID114050876
Molecular FormulaC12H9BrFN3O
Molecular Weight310.13 g/mol
Exact Mass308.99
IUPAC NameN-(6-bromo-2-methyl-3-pyridinyl)-2-fluoropyridine-3-carboxamide
SMILESCc1nc(Br)ccc1NC(=O)c1cccnc1F
InChIInChI=1S/C12H9BrFN3O/c1-7-9(4-5-10(13)16-7)17-12(18)8-3-2-6-15-11(8)14/h2-6H,1H3,(H,17,18)
InChIKeyBJPCCBLUFLLYMJ-UHFFFAOYSA-N
XLogP2.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.13
LogP ≤ 52.94
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

N-(6-bromo-2-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 103909689
N-(6-bromo-2-methyl-3-pyridinyl)-2-iodo-3-methylbenzamide
CID 113349911
N-(6-bromo-2-methyl-3-pyridinyl)-2-ethylbenzamide
CID 103909504
N-(6-bromo-2-methyl-3-pyridinyl)-4-fluoro-2-methylbenzamide
CID 113349854
N-(6-bromo-2-methyl-3-pyridinyl)-2,5-difluorobenzamide
CID 103909591
N-(6-bromo-2-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 103909634
2-fluoro-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide
CID 114037696
N-(4-chloro-2-fluorophenyl)-2-fluoropyridine-3-carboxamide
CID 107362716
2,5-dibromo-N-(6-bromo-2-methyl-3-pyridinyl)benzamide
CID 104920609
N-(4-bromo-3-methylphenyl)-2-fluoropyridine-3-carboxamide
CID 107358538
2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 107358521
N-(6-bromo-2-methyl-3-pyridinyl)-4-chloro-2-methylbenzamide
CID 103909568

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-2-fluoropyridine-3-carboxamide?
The IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-2-fluoropyridine-3-carboxamide (CID 114050876) is N-(6-bromo-2-methyl-3-pyridinyl)-2-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(6-bromo-2-methyl-3-pyridinyl)-2-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(6-bromo-2-methyl-3-pyridinyl)-2-fluoropyridine-3-carboxamide is Cc1nc(Br)ccc1NC(=O)c1cccnc1F.
What is the InChIKey of N-(6-bromo-2-methyl-3-pyridinyl)-2-fluoropyridine-3-carboxamide?
The InChIKey is BJPCCBLUFLLYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3O/c1-7-9(4-5-10(13)16-7)17-12(18)8-3-2-6-15-11(8)14/h2-6H,1H3,(H,17,18).
What are the key properties of N-(6-bromo-2-methyl-3-pyridinyl)-2-fluoropyridine-3-carboxamide?
N-(6-bromo-2-methyl-3-pyridinyl)-2-fluoropyridine-3-carboxamide has a molecular weight of 310.13 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-methyl-3-pyridinyl)-2-fluoropyridine-3-carboxamide is sourced from PubChem (CID 114050876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).