2-methylpropanoic acid;2H-pyridine-1-carboxylic acid

C10H15NO4 — CID 174656079

IUPAC2-methylpropanoic acid;2H-pyridine-1-carboxylic acid
SMILESCC(C)C(=O)O.O=C(O)N1C=CC=CC1
InChIInChI=1S/C6H7NO2.C4H8O2/c8-6(9)7-4-2-1-3-5-7;1-3(2)4(5)6/h1-4H,5H2,(H,8,9);3H,1-2H3,(H,5,6)
InChIKeyADLURJRMCPYIAF-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.78
Rot. Bonds1

About 2-methylpropanoic acid;2H-pyridine-1-carboxylic acid

2-methylpropanoic acid;2H-pyridine-1-carboxylic acid (PubChem CID 174656079) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-methylpropanoic acid;2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name2-methylpropanoic acid;2H-pyridine-1-carboxylic acid
PubChem CID174656079
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-methylpropanoic acid;2H-pyridine-1-carboxylic acid
SMILESCC(C)C(=O)O.O=C(O)N1C=CC=CC1
InChIInChI=1S/C6H7NO2.C4H8O2/c8-6(9)7-4-2-1-3-5-7;1-3(2)4(5)6/h1-4H,5H2,(H,8,9);3H,1-2H3,(H,5,6)
InChIKeyADLURJRMCPYIAF-UHFFFAOYSA-N
XLogP1.78
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropanoic acid;2H-pyridine-1-carboxylic acid?
The IUPAC name of 2-methylpropanoic acid;2H-pyridine-1-carboxylic acid (CID 174656079) is 2-methylpropanoic acid;2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 2-methylpropanoic acid;2H-pyridine-1-carboxylic acid?
The canonical SMILES for 2-methylpropanoic acid;2H-pyridine-1-carboxylic acid is CC(C)C(=O)O.O=C(O)N1C=CC=CC1.
What is the InChIKey of 2-methylpropanoic acid;2H-pyridine-1-carboxylic acid?
The InChIKey is ADLURJRMCPYIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2.C4H8O2/c8-6(9)7-4-2-1-3-5-7;1-3(2)4(5)6/h1-4H,5H2,(H,8,9);3H,1-2H3,(H,5,6).
What are the key properties of 2-methylpropanoic acid;2H-pyridine-1-carboxylic acid?
2-methylpropanoic acid;2H-pyridine-1-carboxylic acid has a molecular weight of 213.23 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanoic acid;2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 174656079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).