2-(4-carboxy-2-pyridinyl)-6-pyridin-2-ylpyrimidine-4-carboxylic acid

C16H10N4O4 — CID 118281877

IUPAC2-(4-carboxy-2-pyridinyl)-6-pyridin-2-ylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2nc(C(=O)O)cc(-c3ccccn3)n2)c1
InChIInChI=1S/C16H10N4O4/c21-15(22)9-4-6-18-12(7-9)14-19-11(8-13(20-14)16(23)24)10-3-1-2-5-17-10/h1-8H,(H,21,22)(H,23,24)
InChIKeyFIVQEWSMBRVHSL-UHFFFAOYSA-N
MW322.28 g/mol
LogP2.00
Rot. Bonds4

About 2-(4-carboxy-2-pyridinyl)-6-pyridin-2-ylpyrimidine-4-carboxylic acid

2-(4-carboxy-2-pyridinyl)-6-pyridin-2-ylpyrimidine-4-carboxylic acid (PubChem CID 118281877) has the molecular formula C16H10N4O4 and a molecular weight of 322.28 g/mol. Its IUPAC name is 2-(4-carboxy-2-pyridinyl)-6-pyridin-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-carboxy-2-pyridinyl)-6-pyridin-2-ylpyrimidine-4-carboxylic acid
PubChem CID118281877
Molecular FormulaC16H10N4O4
Molecular Weight322.28 g/mol
Exact Mass322.07
IUPAC Name2-(4-carboxy-2-pyridinyl)-6-pyridin-2-ylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2nc(C(=O)O)cc(-c3ccccn3)n2)c1
InChIInChI=1S/C16H10N4O4/c21-15(22)9-4-6-18-12(7-9)14-19-11(8-13(20-14)16(23)24)10-3-1-2-5-17-10/h1-8H,(H,21,22)(H,23,24)
InChIKeyFIVQEWSMBRVHSL-UHFFFAOYSA-N
XLogP2.00
TPSA126.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

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-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
2-[4-(4-carboxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-4-carboxylic acid
CID 102183000
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
6-(propan-2-ylamino)-2-pyridin-2-ylpyrimidine-4-carboxylic acid
CID 82169893
2,4,6-tripyridin-2-ylpyrimidine
CID 70005539
azanium 2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid
CID 101438368
3-chloro-4-pyridin-2-ylbenzoic acid
CID 68948514
pyridine;pyridine-2,4-dicarboxylic acid
CID 159305579
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;nickel;(2-oxoniocarbonylbenzoyl)oxidanium
CID 59748498
6-methyl-2-(4-methyl-2-pyridinyl)pyrimidine-4-carboxylic acid
CID 63839625

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxy-2-pyridinyl)-6-pyridin-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-(4-carboxy-2-pyridinyl)-6-pyridin-2-ylpyrimidine-4-carboxylic acid (CID 118281877) is 2-(4-carboxy-2-pyridinyl)-6-pyridin-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(4-carboxy-2-pyridinyl)-6-pyridin-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(4-carboxy-2-pyridinyl)-6-pyridin-2-ylpyrimidine-4-carboxylic acid is O=C(O)c1ccnc(-c2nc(C(=O)O)cc(-c3ccccn3)n2)c1.
What is the InChIKey of 2-(4-carboxy-2-pyridinyl)-6-pyridin-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is FIVQEWSMBRVHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O4/c21-15(22)9-4-6-18-12(7-9)14-19-11(8-13(20-14)16(23)24)10-3-1-2-5-17-10/h1-8H,(H,21,22)(H,23,24).
What are the key properties of 2-(4-carboxy-2-pyridinyl)-6-pyridin-2-ylpyrimidine-4-carboxylic acid?
2-(4-carboxy-2-pyridinyl)-6-pyridin-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 322.28 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carboxy-2-pyridinyl)-6-pyridin-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 118281877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).