methyl 5-bromopyridine-2-carboxylate

C7H6BrNO2 — CID 7016458

IUPACmethyl 5-bromopyridine-2-carboxylate
SMILESCOC(=O)c1ccc(Br)cn1
InChIInChI=1S/C7H6BrNO2/c1-11-7(10)6-3-2-5(8)4-9-6/h2-4H,1H3
InChIKeyJEURNBCYNWNADN-UHFFFAOYSA-N
MW216.03 g/mol
LogP1.63
Rot. Bonds1

About methyl 5-bromopyridine-2-carboxylate

methyl 5-bromopyridine-2-carboxylate (PubChem CID 7016458) has the molecular formula C7H6BrNO2 and a molecular weight of 216.03 g/mol. Its IUPAC name is methyl 5-bromopyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromopyridine-2-carboxylate
PubChem CID7016458
Molecular FormulaC7H6BrNO2
Molecular Weight216.03 g/mol
Exact Mass214.96
IUPAC Namemethyl 5-bromopyridine-2-carboxylate
SMILESCOC(=O)c1ccc(Br)cn1
InChIInChI=1S/C7H6BrNO2/c1-11-7(10)6-3-2-5(8)4-9-6/h2-4H,1H3
InChIKeyJEURNBCYNWNADN-UHFFFAOYSA-N
XLogP1.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.03
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;methyl 5-bromopyridine-2-carboxylate
CID 143416930
methyl 5-(6-methoxycarbonyl-3-pyridinyl)pyridine-2-carboxylate
CID 46738787
methyl 5-bromopyridine-2-carboxylate;methyl 5-(5-chloro-2-methylphenyl)pyridine-2-carboxylate
CID 159139193
methyl 5-chloropyridine-2-carboxylate
CID 11298216
5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111
methyl 3-[(5-bromopyridine-2-carbonyl)amino]benzoate
CID 62958863
5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 62954201
methyl 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoate
CID 62954229
carbon dioxide;methyl 5-methylpyridine-2-carboxylate
CID 157165111
methyl 5-(hydroxymethyl)pyridine-2-carboxylate
CID 18974051
2-bromo-5-(difluoromethyl)pyridine;methyl 5-(difluoromethyl)pyridine-2-carboxylate
CID 158558358
methyl 3-[(5-bromopyridine-2-carbonyl)amino]-4-fluorobenzoate
CID 62953371

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromopyridine-2-carboxylate?
The IUPAC name of methyl 5-bromopyridine-2-carboxylate (CID 7016458) is methyl 5-bromopyridine-2-carboxylate.
What is the SMILES notation for methyl 5-bromopyridine-2-carboxylate?
The canonical SMILES for methyl 5-bromopyridine-2-carboxylate is COC(=O)c1ccc(Br)cn1.
What is the InChIKey of methyl 5-bromopyridine-2-carboxylate?
The InChIKey is JEURNBCYNWNADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO2/c1-11-7(10)6-3-2-5(8)4-9-6/h2-4H,1H3.
What are the key properties of methyl 5-bromopyridine-2-carboxylate?
methyl 5-bromopyridine-2-carboxylate has a molecular weight of 216.03 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromopyridine-2-carboxylate is sourced from PubChem (CID 7016458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).