5-bromo-2,3-dimethylpyridine;methyl formate

C9H12BrNO2 — CID 177034654

IUPAC5-bromo-2,3-dimethylpyridine;methyl formate
SMILESCOC=O.Cc1cc(Br)cnc1C
InChIInChI=1S/C7H8BrN.C2H4O2/c1-5-3-7(8)4-9-6(5)2;1-4-2-3/h3-4H,1-2H3;2H,1H3
InChIKeyZFZYJWZWIPHRIH-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.25
Rot. Bonds1

About 5-bromo-2,3-dimethylpyridine;methyl formate

5-bromo-2,3-dimethylpyridine;methyl formate (PubChem CID 177034654) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is 5-bromo-2,3-dimethylpyridine;methyl formate.

Molecular Properties

Compound Name5-bromo-2,3-dimethylpyridine;methyl formate
PubChem CID177034654
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name5-bromo-2,3-dimethylpyridine;methyl formate
SMILESCOC=O.Cc1cc(Br)cnc1C
InChIInChI=1S/C7H8BrN.C2H4O2/c1-5-3-7(8)4-9-6(5)2;1-4-2-3/h3-4H,1-2H3;2H,1H3
InChIKeyZFZYJWZWIPHRIH-UHFFFAOYSA-N
XLogP2.25
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-methylpyridine;methyl formate
CID 174794346
5-bromo-2-iodo-3-methylpyridine;5-bromo-3-methylpyridine-2-carbaldehyde;methane
CID 157258711
methyl N-(5-bromo-2-methyl-3-pyridinyl)carbamate
CID 160632278
acetylene;5-bromo-3-methylpyridin-2-amine
CID 143713181
3-[(2-amino-5-bromo-3-pyridinyl)amino]-2,2-dimethylpropanenitrile;methyl formate
CID 176975771
3-(5-bromo-3-methyl-2-pyridinyl)butan-2-amine
CID 79718137
(2-amino-5-bromo-3-pyridinyl) formate
CID 121338216
4-bromo-2,3,5-trimethylpyridine
CID 58742154
5-bromo-2-(difluoromethyl)-3-methylpyridine
CID 130095050
ethyl 2-(5-bromo-2-methyl-3-pyridinyl)acetate
CID 133098025
(5-bromo-3-methyl-2-pyridinyl) propanoate
CID 150932448
5-bromo-N-(4-methoxy-2,3,5-trimethylphenyl)-3-methylpyridin-2-amine
CID 115148429

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-dimethylpyridine;methyl formate?
The IUPAC name of 5-bromo-2,3-dimethylpyridine;methyl formate (CID 177034654) is 5-bromo-2,3-dimethylpyridine;methyl formate.
What is the SMILES notation for 5-bromo-2,3-dimethylpyridine;methyl formate?
The canonical SMILES for 5-bromo-2,3-dimethylpyridine;methyl formate is COC=O.Cc1cc(Br)cnc1C.
What is the InChIKey of 5-bromo-2,3-dimethylpyridine;methyl formate?
The InChIKey is ZFZYJWZWIPHRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN.C2H4O2/c1-5-3-7(8)4-9-6(5)2;1-4-2-3/h3-4H,1-2H3;2H,1H3.
What are the key properties of 5-bromo-2,3-dimethylpyridine;methyl formate?
5-bromo-2,3-dimethylpyridine;methyl formate has a molecular weight of 246.10 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3-dimethylpyridine;methyl formate is sourced from PubChem (CID 177034654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).