5-bromo-6-ethoxypyridine-3-carboxylic acid

C8H8BrNO3 — CID 66835474

IUPAC5-bromo-6-ethoxypyridine-3-carboxylic acid
SMILESCCOc1ncc(C(=O)O)cc1Br
InChIInChI=1S/C8H8BrNO3/c1-2-13-7-6(9)3-5(4-10-7)8(11)12/h3-4H,2H2,1H3,(H,11,12)
InChIKeyNMFXNIWIVQEBIU-UHFFFAOYSA-N
MW246.06 g/mol
LogP1.94
Rot. Bonds3

About 5-bromo-6-ethoxypyridine-3-carboxylic acid

5-bromo-6-ethoxypyridine-3-carboxylic acid (PubChem CID 66835474) has the molecular formula C8H8BrNO3 and a molecular weight of 246.06 g/mol. Its IUPAC name is 5-bromo-6-ethoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-6-ethoxypyridine-3-carboxylic acid
PubChem CID66835474
Molecular FormulaC8H8BrNO3
Molecular Weight246.06 g/mol
Exact Mass244.97
IUPAC Name5-bromo-6-ethoxypyridine-3-carboxylic acid
SMILESCCOc1ncc(C(=O)O)cc1Br
InChIInChI=1S/C8H8BrNO3/c1-2-13-7-6(9)3-5(4-10-7)8(11)12/h3-4H,2H2,1H3,(H,11,12)
InChIKeyNMFXNIWIVQEBIU-UHFFFAOYSA-N
XLogP1.94
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-6-ethoxypyridine-3-carboxylic acid
CID 81439997
5-bromo-6-(cyclopropylmethoxy)pyridine-3-carboxylic acid
CID 21109708
5-bromo-6-(2-ethoxyanilino)pyridine-3-carboxylic acid
CID 84611034
ethyl 5-bromo-6-propan-2-yloxypyridine-3-carboxylate
CID 133062104
5-methyl-6-propoxypyridine-3-carboxylic acid
CID 138702867
6-ethoxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-3-carboxylic acid
CID 66835543
6-(3-ethoxyphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80631046
5,6-dimethoxypyridine-3-carboxylic acid
CID 12563086
5-bromo-6-chloropyridine-3-carboxylic acid;hydrazine
CID 174723335
3,5-dibromo-4-(ethoxymethoxy)benzoic acid
CID 107738656
5-amino-6-(2,5-dibromo-4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 81447618
sodium;2-acetyloxyethyl 6-(2-acetyloxyethoxy)-5-bromopyridine-3-carboxylate;hydride
CID 67170540

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-ethoxypyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-6-ethoxypyridine-3-carboxylic acid (CID 66835474) is 5-bromo-6-ethoxypyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-6-ethoxypyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-6-ethoxypyridine-3-carboxylic acid is CCOc1ncc(C(=O)O)cc1Br.
What is the InChIKey of 5-bromo-6-ethoxypyridine-3-carboxylic acid?
The InChIKey is NMFXNIWIVQEBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO3/c1-2-13-7-6(9)3-5(4-10-7)8(11)12/h3-4H,2H2,1H3,(H,11,12).
What are the key properties of 5-bromo-6-ethoxypyridine-3-carboxylic acid?
5-bromo-6-ethoxypyridine-3-carboxylic acid has a molecular weight of 246.06 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-ethoxypyridine-3-carboxylic acid is sourced from PubChem (CID 66835474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).