5-bromo-2-methylpyridine;formic acid

C7H8BrNO2 — CID 174794271

IUPAC5-bromo-2-methylpyridine;formic acid
SMILESCc1ccc(Br)cn1.O=CO
InChIInChI=1S/C6H6BrN.CH2O2/c1-5-2-3-6(7)4-8-5;2-1-3/h2-4H,1H3;1H,(H,2,3)
InChIKeyVFMRQTMAAYEELK-UHFFFAOYSA-N
MW218.05 g/mol
LogP1.85
Rot. Bonds

About 5-bromo-2-methylpyridine;formic acid

5-bromo-2-methylpyridine;formic acid (PubChem CID 174794271) has the molecular formula C7H8BrNO2 and a molecular weight of 218.05 g/mol. Its IUPAC name is 5-bromo-2-methylpyridine;formic acid.

Molecular Properties

Compound Name5-bromo-2-methylpyridine;formic acid
PubChem CID174794271
Molecular FormulaC7H8BrNO2
Molecular Weight218.05 g/mol
Exact Mass216.97
IUPAC Name5-bromo-2-methylpyridine;formic acid
SMILESCc1ccc(Br)cn1.O=CO
InChIInChI=1S/C6H6BrN.CH2O2/c1-5-2-3-6(7)4-8-5;2-1-3/h2-4H,1H3;1H,(H,2,3)
InChIKeyVFMRQTMAAYEELK-UHFFFAOYSA-N
XLogP1.85
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.05
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-2-methylpyridine;formic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-(dideuteriomethyl)pyridine
CID 177316753
5-bromo-2-methylpyridine;2,4,6-trinitrophenol
CID 122359895
(3,5-dibromophenyl)-(6-methyl-3-pyridinyl)methanone
CID 107976815
(5-bromo-2-pyridinyl)-trimethylstannane
CID 11151376
4-(4-bromo-2-methylphenyl)-N-(6-methyl-3-pyridinyl)piperazine-1-carbothioamide;formic acid
CID 177332850
2,5-dibromopyridine;ethane
CID 90871570
5-bromopyridine-2-thiolate
CID 26338075
N-(5-bromo-2-pyridinyl)formamide
CID 3267780
deuterio-(6-methyl-3-pyridinyl)methanone;dideuterio-(6-methyl-3-pyridinyl)methanol
CID 160626158
2-(5-bromo-2-pyridinyl)-3-(2,4-dimethylimidazol-1-yl)propanal
CID 174523547
1-(4-bromophenyl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155712
5-bromo-2-methylpyridine;ethyl 2-(5-phenyl-2-pyridinyl)acetate;2-methyl-5-phenylpyridine
CID 159251873

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methylpyridine;formic acid?
The IUPAC name of 5-bromo-2-methylpyridine;formic acid (CID 174794271) is 5-bromo-2-methylpyridine;formic acid.
What is the SMILES notation for 5-bromo-2-methylpyridine;formic acid?
The canonical SMILES for 5-bromo-2-methylpyridine;formic acid is Cc1ccc(Br)cn1.O=CO.
What is the InChIKey of 5-bromo-2-methylpyridine;formic acid?
The InChIKey is VFMRQTMAAYEELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN.CH2O2/c1-5-2-3-6(7)4-8-5;2-1-3/h2-4H,1H3;1H,(H,2,3).
What are the key properties of 5-bromo-2-methylpyridine;formic acid?
5-bromo-2-methylpyridine;formic acid has a molecular weight of 218.05 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methylpyridine;formic acid is sourced from PubChem (CID 174794271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).