N-(5-bromo-2-pyridinyl)formamide

C6H5BrN2O — CID 3267780

IUPACN-(5-bromo-2-pyridinyl)formamide
SMILESO=CNc1ccc(Br)cn1
InChIInChI=1S/C6H5BrN2O/c7-5-1-2-6(8-3-5)9-4-10/h1-4H,(H,8,9,10)
InChIKeyBOWBHDDMIOCCJC-UHFFFAOYSA-N
MW201.02 g/mol
LogP1.41
Rot. Bonds2

About N-(5-bromo-2-pyridinyl)formamide

N-(5-bromo-2-pyridinyl)formamide (PubChem CID 3267780) has the molecular formula C6H5BrN2O and a molecular weight of 201.02 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)formamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)formamide
PubChem CID3267780
Molecular FormulaC6H5BrN2O
Molecular Weight201.02 g/mol
Exact Mass199.96
IUPAC NameN-(5-bromo-2-pyridinyl)formamide
SMILESO=CNc1ccc(Br)cn1
InChIInChI=1S/C6H5BrN2O/c7-5-1-2-6(8-3-5)9-4-10/h1-4H,(H,8,9,10)
InChIKeyBOWBHDDMIOCCJC-UHFFFAOYSA-N
XLogP1.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.02
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)formamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)formamide (CID 3267780) is N-(5-bromo-2-pyridinyl)formamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)formamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)formamide is O=CNc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)formamide?
The InChIKey is BOWBHDDMIOCCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2O/c7-5-1-2-6(8-3-5)9-4-10/h1-4H,(H,8,9,10).
What are the key properties of N-(5-bromo-2-pyridinyl)formamide?
N-(5-bromo-2-pyridinyl)formamide has a molecular weight of 201.02 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)formamide is sourced from PubChem (CID 3267780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).