2-bromo-N-(5-fluoro-2-pyridinyl)-5-methoxybenzamide

C13H10BrFN2O2 — CID 62877597

IUPAC2-bromo-N-(5-fluoro-2-pyridinyl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2ccc(F)cn2)c1
InChIInChI=1S/C13H10BrFN2O2/c1-19-9-3-4-11(14)10(6-9)13(18)17-12-5-2-8(15)7-16-12/h2-7H,1H3,(H,16,17,18)
InChIKeyXTYVKPNKWIGYAT-UHFFFAOYSA-N
MW325.14 g/mol
LogP3.24
Rot. Bonds3

About 2-bromo-N-(5-fluoro-2-pyridinyl)-5-methoxybenzamide

2-bromo-N-(5-fluoro-2-pyridinyl)-5-methoxybenzamide (PubChem CID 62877597) has the molecular formula C13H10BrFN2O2 and a molecular weight of 325.14 g/mol. Its IUPAC name is 2-bromo-N-(5-fluoro-2-pyridinyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-(5-fluoro-2-pyridinyl)-5-methoxybenzamide
PubChem CID62877597
Molecular FormulaC13H10BrFN2O2
Molecular Weight325.14 g/mol
Exact Mass323.99
IUPAC Name2-bromo-N-(5-fluoro-2-pyridinyl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2ccc(F)cn2)c1
InChIInChI=1S/C13H10BrFN2O2/c1-19-9-3-4-11(14)10(6-9)13(18)17-12-5-2-8(15)7-16-12/h2-7H,1H3,(H,16,17,18)
InChIKeyXTYVKPNKWIGYAT-UHFFFAOYSA-N
XLogP3.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.14
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-4-methyl-2-pyridinyl)-2-bromo-5-methoxybenzamide
CID 61292962
2-bromo-5-methoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 27645934
2-bromo-N-(5-fluoro-2-methylphenyl)-5-methoxybenzamide
CID 2446537
2-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]-5-methoxybenzamide
CID 122298027
2-bromo-5-methoxy-N-pyrimidin-5-ylbenzamide
CID 104856860
N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dimethoxybenzamide
CID 79736443
2-bromo-5-methoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide
CID 56552729
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-methoxybenzamide
CID 103274988
2-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-5-methoxybenzamide
CID 102979484
2-bromo-N-(3-fluoro-4-hydroxyphenyl)-5-methoxybenzamide
CID 64781077
N-(5-amino-2-pyridinyl)-2-fluoro-4-methoxybenzamide
CID 102881864
3-amino-4-bromo-N-(5-fluoro-2-pyridinyl)benzamide
CID 65481637

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-fluoro-2-pyridinyl)-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-(5-fluoro-2-pyridinyl)-5-methoxybenzamide (CID 62877597) is 2-bromo-N-(5-fluoro-2-pyridinyl)-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-(5-fluoro-2-pyridinyl)-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-(5-fluoro-2-pyridinyl)-5-methoxybenzamide is COc1ccc(Br)c(C(=O)Nc2ccc(F)cn2)c1.
What is the InChIKey of 2-bromo-N-(5-fluoro-2-pyridinyl)-5-methoxybenzamide?
The InChIKey is XTYVKPNKWIGYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O2/c1-19-9-3-4-11(14)10(6-9)13(18)17-12-5-2-8(15)7-16-12/h2-7H,1H3,(H,16,17,18).
What are the key properties of 2-bromo-N-(5-fluoro-2-pyridinyl)-5-methoxybenzamide?
2-bromo-N-(5-fluoro-2-pyridinyl)-5-methoxybenzamide has a molecular weight of 325.14 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-fluoro-2-pyridinyl)-5-methoxybenzamide is sourced from PubChem (CID 62877597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).