4-amino-6-(methylamino)pyridine-3-carboxylic acid

C7H9N3O2 — CID 83635634

IUPAC4-amino-6-(methylamino)pyridine-3-carboxylic acid
SMILESCNc1cc(N)c(C(=O)O)cn1
InChIInChI=1S/C7H9N3O2/c1-9-6-2-5(8)4(3-10-6)7(11)12/h2-3H,1H3,(H,11,12)(H3,8,9,10)
InChIKeyBLPMWYKTMHURBI-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.40
Rot. Bonds2

About 4-amino-6-(methylamino)pyridine-3-carboxylic acid

4-amino-6-(methylamino)pyridine-3-carboxylic acid (PubChem CID 83635634) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 4-amino-6-(methylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-(methylamino)pyridine-3-carboxylic acid
PubChem CID83635634
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name4-amino-6-(methylamino)pyridine-3-carboxylic acid
SMILESCNc1cc(N)c(C(=O)O)cn1
InChIInChI=1S/C7H9N3O2/c1-9-6-2-5(8)4(3-10-6)7(11)12/h2-3H,1H3,(H,11,12)(H3,8,9,10)
InChIKeyBLPMWYKTMHURBI-UHFFFAOYSA-N
XLogP0.40
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(methylamino)pyridine-3-carboxylic acid?
The IUPAC name of 4-amino-6-(methylamino)pyridine-3-carboxylic acid (CID 83635634) is 4-amino-6-(methylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-amino-6-(methylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 4-amino-6-(methylamino)pyridine-3-carboxylic acid is CNc1cc(N)c(C(=O)O)cn1.
What is the InChIKey of 4-amino-6-(methylamino)pyridine-3-carboxylic acid?
The InChIKey is BLPMWYKTMHURBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-9-6-2-5(8)4(3-10-6)7(11)12/h2-3H,1H3,(H,11,12)(H3,8,9,10).
What are the key properties of 4-amino-6-(methylamino)pyridine-3-carboxylic acid?
4-amino-6-(methylamino)pyridine-3-carboxylic acid has a molecular weight of 167.17 g/mol, XLogP of 0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(methylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 83635634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).