6-propylpyridine-3,4-dicarboxylic acid

C10H11NO4 — CID 115026250

IUPAC6-propylpyridine-3,4-dicarboxylic acid
SMILESCCCc1cc(C(=O)O)c(C(=O)O)cn1
InChIInChI=1S/C10H11NO4/c1-2-3-6-4-7(9(12)13)8(5-11-6)10(14)15/h4-5H,2-3H2,1H3,(H,12,13)(H,14,15)
InChIKeyPVEHWHRXKXGAMH-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.43
Rot. Bonds4

About 6-propylpyridine-3,4-dicarboxylic acid

6-propylpyridine-3,4-dicarboxylic acid (PubChem CID 115026250) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 6-propylpyridine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name6-propylpyridine-3,4-dicarboxylic acid
PubChem CID115026250
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name6-propylpyridine-3,4-dicarboxylic acid
SMILESCCCc1cc(C(=O)O)c(C(=O)O)cn1
InChIInChI=1S/C10H11NO4/c1-2-3-6-4-7(9(12)13)8(5-11-6)10(14)15/h4-5H,2-3H2,1H3,(H,12,13)(H,14,15)
InChIKeyPVEHWHRXKXGAMH-UHFFFAOYSA-N
XLogP1.43
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

copper;bis(6-(4,5-dicarboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid)
CID 59303577
6-(chloromethyl)-4-ethylpyridine-3-carboxylic acid
CID 57099820
(4-methyl-6-propyl-3-pyridinyl)boronic acid
CID 171555372
6-(6-propylpyrimidin-4-yl)sulfanylpyridine-3-carboxylic acid
CID 61326953
2-butyl-4-propylpyrimidine-5-carboxylic acid
CID 79412122
N-(4-amino-6-propyl-3-pyridinyl)acetamide
CID 22380205
4,5-dibutylphthalic acid
CID 57316661
5-methyl-2-(6-propylpyrimidin-4-yl)oxybenzoic acid
CID 61396377
2-(3,5-dichlorophenyl)-4-propylpyrimidine-5-carboxylic acid
CID 107918025
4-propylpyridine-3-carboxylic acid
CID 21413297
2-(3,4-dihydroxyphenyl)-4-propylpyrimidine-5-carboxylic acid
CID 136889195
6-chloro-4-ethoxycarbonylpyridine-3-carboxylic acid
CID 163257477

Frequently Asked Questions

What is the IUPAC name of 6-propylpyridine-3,4-dicarboxylic acid?
The IUPAC name of 6-propylpyridine-3,4-dicarboxylic acid (CID 115026250) is 6-propylpyridine-3,4-dicarboxylic acid.
What is the SMILES notation for 6-propylpyridine-3,4-dicarboxylic acid?
The canonical SMILES for 6-propylpyridine-3,4-dicarboxylic acid is CCCc1cc(C(=O)O)c(C(=O)O)cn1.
What is the InChIKey of 6-propylpyridine-3,4-dicarboxylic acid?
The InChIKey is PVEHWHRXKXGAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-2-3-6-4-7(9(12)13)8(5-11-6)10(14)15/h4-5H,2-3H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 6-propylpyridine-3,4-dicarboxylic acid?
6-propylpyridine-3,4-dicarboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propylpyridine-3,4-dicarboxylic acid is sourced from PubChem (CID 115026250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).