5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid

C8H7N3O2 — CID 123571301

IUPAC5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)N1C=Cc2ncncc2C1
InChIInChI=1S/C8H7N3O2/c12-8(13)11-2-1-7-6(4-11)3-9-5-10-7/h1-3,5H,4H2,(H,12,13)
InChIKeyOYIWVWTUJGBJJY-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.94
Rot. Bonds

About 5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid

5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid (PubChem CID 123571301) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid
PubChem CID123571301
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)N1C=Cc2ncncc2C1
InChIInChI=1S/C8H7N3O2/c12-8(13)11-2-1-7-6(4-11)3-9-5-10-7/h1-3,5H,4H2,(H,12,13)
InChIKeyOYIWVWTUJGBJJY-UHFFFAOYSA-N
XLogP0.94
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenylpropan-1-one
CID 138005206
ethyl pyrimido[4,5-d]azepine-7-carboxylate
CID 154459539
6-hydroxy-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 175171276
1,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylic acid
CID 129246500
5-bromopyrimidine-4-carboxylic acid
CID 21329200
N-(2-fluorophenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 90585516
(2S)-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenylbutan-1-one
CID 97354955
1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid
CID 70298900
1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenoxypropan-1-one
CID 71805777
4-[(3-oxo-1H-isoindol-2-yl)methyl]pyrimidine-5-carboxylic acid
CID 102973923
4-oxo-2,3-dihydropyridine-1-carboxylic acid
CID 67975094
pyrimidine-4,5-dicarboxylate
CID 19795578

Frequently Asked Questions

What is the IUPAC name of 5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid (CID 123571301) is 5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid is O=C(O)N1C=Cc2ncncc2C1.
What is the InChIKey of 5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is OYIWVWTUJGBJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c12-8(13)11-2-1-7-6(4-11)3-9-5-10-7/h1-3,5H,4H2,(H,12,13).
What are the key properties of 5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid?
5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 177.16 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 123571301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).