3-amino-6-(4-carboxy-2-pyridinyl)pyridine-2-carboxylic acid

C12H9N3O4 — CID 140591026

IUPAC3-amino-6-(4-carboxy-2-pyridinyl)pyridine-2-carboxylic acid
SMILESNc1ccc(-c2cc(C(=O)O)ccn2)nc1C(=O)O
InChIInChI=1S/C12H9N3O4/c13-7-1-2-8(15-10(7)12(18)19)9-5-6(11(16)17)3-4-14-9/h1-5H,13H2,(H,16,17)(H,18,19)
InChIKeyMGWRCIAPKYQTAH-UHFFFAOYSA-N
MW259.22 g/mol
LogP1.12
Rot. Bonds3

About 3-amino-6-(4-carboxy-2-pyridinyl)pyridine-2-carboxylic acid

3-amino-6-(4-carboxy-2-pyridinyl)pyridine-2-carboxylic acid (PubChem CID 140591026) has the molecular formula C12H9N3O4 and a molecular weight of 259.22 g/mol. Its IUPAC name is 3-amino-6-(4-carboxy-2-pyridinyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-(4-carboxy-2-pyridinyl)pyridine-2-carboxylic acid
PubChem CID140591026
Molecular FormulaC12H9N3O4
Molecular Weight259.22 g/mol
Exact Mass259.06
IUPAC Name3-amino-6-(4-carboxy-2-pyridinyl)pyridine-2-carboxylic acid
SMILESNc1ccc(-c2cc(C(=O)O)ccn2)nc1C(=O)O
InChIInChI=1S/C12H9N3O4/c13-7-1-2-8(15-10(7)12(18)19)9-5-6(11(16)17)3-4-14-9/h1-5H,13H2,(H,16,17)(H,18,19)
InChIKeyMGWRCIAPKYQTAH-UHFFFAOYSA-N
XLogP1.12
TPSA126.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
2-(2-pyridin-4-ylpyrimidin-4-yl)pyridine-4-carboxylic acid
CID 56861601
3-amino-6-[3,5-bis(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 169133743
3-amino-6-(2,3,4,5,6-pentachlorophenyl)pyridine-2-carboxylic acid
CID 134624256
2-[2-(2-methylpropyl)pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 56878845
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014
2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344
2-[2-(3-methylbutyl)pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 56874192
6-(4-carboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid
CID 58788780
2-[2-(2-fluorophenyl)pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 56873737
3-amino-6-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid
CID 134636979

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-carboxy-2-pyridinyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-6-(4-carboxy-2-pyridinyl)pyridine-2-carboxylic acid (CID 140591026) is 3-amino-6-(4-carboxy-2-pyridinyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-(4-carboxy-2-pyridinyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-(4-carboxy-2-pyridinyl)pyridine-2-carboxylic acid is Nc1ccc(-c2cc(C(=O)O)ccn2)nc1C(=O)O.
What is the InChIKey of 3-amino-6-(4-carboxy-2-pyridinyl)pyridine-2-carboxylic acid?
The InChIKey is MGWRCIAPKYQTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O4/c13-7-1-2-8(15-10(7)12(18)19)9-5-6(11(16)17)3-4-14-9/h1-5H,13H2,(H,16,17)(H,18,19).
What are the key properties of 3-amino-6-(4-carboxy-2-pyridinyl)pyridine-2-carboxylic acid?
3-amino-6-(4-carboxy-2-pyridinyl)pyridine-2-carboxylic acid has a molecular weight of 259.22 g/mol, XLogP of 1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-carboxy-2-pyridinyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 140591026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).