5-(aminomethyl)-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid

C8H10N2O3 — CID 82407952

IUPAC5-(aminomethyl)-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid
SMILESCc1cc(CN)c(=O)[nH]c1C(=O)O
InChIInChI=1S/C8H10N2O3/c1-4-2-5(3-9)7(11)10-6(4)8(12)13/h2H,3,9H2,1H3,(H,10,11)(H,12,13)
InChIKeyHZDNDCSWBXEJAI-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.16
Rot. Bonds2

About 5-(aminomethyl)-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid

5-(aminomethyl)-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 82407952) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-(aminomethyl)-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(aminomethyl)-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid
PubChem CID82407952
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name5-(aminomethyl)-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid
SMILESCc1cc(CN)c(=O)[nH]c1C(=O)O
InChIInChI=1S/C8H10N2O3/c1-4-2-5(3-9)7(11)10-6(4)8(12)13/h2H,3,9H2,1H3,(H,10,11)(H,12,13)
InChIKeyHZDNDCSWBXEJAI-UHFFFAOYSA-N
XLogP-0.16
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 5-(aminomethyl)-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid (CID 82407952) is 5-(aminomethyl)-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(aminomethyl)-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 5-(aminomethyl)-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid is Cc1cc(CN)c(=O)[nH]c1C(=O)O.
What is the InChIKey of 5-(aminomethyl)-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is HZDNDCSWBXEJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-4-2-5(3-9)7(11)10-6(4)8(12)13/h2H,3,9H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 5-(aminomethyl)-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid?
5-(aminomethyl)-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of -0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 82407952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).