4-(1-carboxy-2H-pyridin-4-yl)-6-methyl-2H-pyridine-1-carboxylic acid

C13H14N2O4 — CID 118020835

IUPAC4-(1-carboxy-2H-pyridin-4-yl)-6-methyl-2H-pyridine-1-carboxylic acid
SMILESCC1=CC(C2=CCN(C(=O)O)C=C2)=CCN1C(=O)O
InChIInChI=1S/C13H14N2O4/c1-9-8-11(4-7-15(9)13(18)19)10-2-5-14(6-3-10)12(16)17/h2-5,8H,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyVMROXHMGPNMHBF-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.24
Rot. Bonds1

About 4-(1-carboxy-2H-pyridin-4-yl)-6-methyl-2H-pyridine-1-carboxylic acid

4-(1-carboxy-2H-pyridin-4-yl)-6-methyl-2H-pyridine-1-carboxylic acid (PubChem CID 118020835) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 4-(1-carboxy-2H-pyridin-4-yl)-6-methyl-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-(1-carboxy-2H-pyridin-4-yl)-6-methyl-2H-pyridine-1-carboxylic acid
PubChem CID118020835
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name4-(1-carboxy-2H-pyridin-4-yl)-6-methyl-2H-pyridine-1-carboxylic acid
SMILESCC1=CC(C2=CCN(C(=O)O)C=C2)=CCN1C(=O)O
InChIInChI=1S/C13H14N2O4/c1-9-8-11(4-7-15(9)13(18)19)10-2-5-14(6-3-10)12(16)17/h2-5,8H,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyVMROXHMGPNMHBF-UHFFFAOYSA-N
XLogP2.24
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-carboxy-2H-pyridin-4-yl)-6-methyl-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-(1-carboxy-2H-pyridin-4-yl)-6-methyl-2H-pyridine-1-carboxylic acid (CID 118020835) is 4-(1-carboxy-2H-pyridin-4-yl)-6-methyl-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-(1-carboxy-2H-pyridin-4-yl)-6-methyl-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-(1-carboxy-2H-pyridin-4-yl)-6-methyl-2H-pyridine-1-carboxylic acid is CC1=CC(C2=CCN(C(=O)O)C=C2)=CCN1C(=O)O.
What is the InChIKey of 4-(1-carboxy-2H-pyridin-4-yl)-6-methyl-2H-pyridine-1-carboxylic acid?
The InChIKey is VMROXHMGPNMHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-9-8-11(4-7-15(9)13(18)19)10-2-5-14(6-3-10)12(16)17/h2-5,8H,6-7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-(1-carboxy-2H-pyridin-4-yl)-6-methyl-2H-pyridine-1-carboxylic acid?
4-(1-carboxy-2H-pyridin-4-yl)-6-methyl-2H-pyridine-1-carboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-carboxy-2H-pyridin-4-yl)-6-methyl-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 118020835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).