ethyl 3-bromo-2-methoxypyridine-4-carboxylate

C9H10BrNO3 — CID 46311482

IUPACethyl 3-bromo-2-methoxypyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(OC)c1Br
InChIInChI=1S/C9H10BrNO3/c1-3-14-9(12)6-4-5-11-8(13-2)7(6)10/h4-5H,3H2,1-2H3
InChIKeyJBEDDTYSHSFYKY-UHFFFAOYSA-N
MW260.09 g/mol
LogP2.03
Rot. Bonds3

About ethyl 3-bromo-2-methoxypyridine-4-carboxylate

ethyl 3-bromo-2-methoxypyridine-4-carboxylate (PubChem CID 46311482) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is ethyl 3-bromo-2-methoxypyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-bromo-2-methoxypyridine-4-carboxylate
PubChem CID46311482
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Nameethyl 3-bromo-2-methoxypyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(OC)c1Br
InChIInChI=1S/C9H10BrNO3/c1-3-14-9(12)6-4-5-11-8(13-2)7(6)10/h4-5H,3H2,1-2H3
InChIKeyJBEDDTYSHSFYKY-UHFFFAOYSA-N
XLogP2.03
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl isonicotinate
CID 15291
2-(Difluoromethoxy)isonicotinic acid
CID 68050402
Butyl isonicotinate
CID 83769
Isonicotinic acid, pentyl ester
CID 531655
Isonicotinic acid, propyl ester
CID 533044
2-Methoxyisonicotinic Acid
CID 819942
Methyl 2-methoxyisonicotinate
CID 14223465
(4-Bromophenyl)methyl pyridine-4-carboxylate
CID 1094796
Methyl 3-bromoisonicotinate
CID 2762700
2-Bromo-isonicotinic acid methyl ester
CID 3847768
2-(1-Methylethoxy)-4-pyridinecarboxylic acid
CID 17750933
Methyl 5-bromo-6-methoxypyridine-3-carboxylate
CID 46311221

Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromo-2-methoxypyridine-4-carboxylate?
The IUPAC name of ethyl 3-bromo-2-methoxypyridine-4-carboxylate (CID 46311482) is ethyl 3-bromo-2-methoxypyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-bromo-2-methoxypyridine-4-carboxylate?
The canonical SMILES for ethyl 3-bromo-2-methoxypyridine-4-carboxylate is CCOC(=O)c1ccnc(OC)c1Br.
What is the InChIKey of ethyl 3-bromo-2-methoxypyridine-4-carboxylate?
The InChIKey is JBEDDTYSHSFYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c1-3-14-9(12)6-4-5-11-8(13-2)7(6)10/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 3-bromo-2-methoxypyridine-4-carboxylate?
ethyl 3-bromo-2-methoxypyridine-4-carboxylate has a molecular weight of 260.09 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromo-2-methoxypyridine-4-carboxylate is sourced from PubChem (CID 46311482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).