3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid

C10H11NO3 — CID 84719962

IUPAC3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid
SMILESCn1c(C(=O)O)c(C2CC2)ccc1=O
InChIInChI=1S/C10H11NO3/c1-11-8(12)5-4-7(6-2-3-6)9(11)10(13)14/h4-6H,2-3H2,1H3,(H,13,14)
InChIKeyFTMCSNLVQQDNJB-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.96
Rot. Bonds2

About 3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid

3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid (PubChem CID 84719962) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid
PubChem CID84719962
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid
SMILESCn1c(C(=O)O)c(C2CC2)ccc1=O
InChIInChI=1S/C10H11NO3/c1-11-8(12)5-4-7(6-2-3-6)9(11)10(13)14/h4-6H,2-3H2,1H3,(H,13,14)
InChIKeyFTMCSNLVQQDNJB-UHFFFAOYSA-N
XLogP0.96
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid?
The IUPAC name of 3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid (CID 84719962) is 3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid is Cn1c(C(=O)O)c(C2CC2)ccc1=O.
What is the InChIKey of 3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid?
The InChIKey is FTMCSNLVQQDNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-11-8(12)5-4-7(6-2-3-6)9(11)10(13)14/h4-6H,2-3H2,1H3,(H,13,14).
What are the key properties of 3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid?
3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid has a molecular weight of 193.20 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 84719962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).