6-methoxycarbonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxylic acid

C10H11N3O4 — CID 83919128

IUPAC6-methoxycarbonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxylic acid
SMILESCOC(=O)N1CCc2nc(C(=O)O)ncc2C1
InChIInChI=1S/C10H11N3O4/c1-17-10(16)13-3-2-7-6(5-13)4-11-8(12-7)9(14)15/h4H,2-3,5H2,1H3,(H,14,15)
InChIKeyPJWVCUXYIWDPSN-UHFFFAOYSA-N
MW237.21 g/mol
LogP0.30
Rot. Bonds1

About 6-methoxycarbonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxylic acid

6-methoxycarbonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxylic acid (PubChem CID 83919128) has the molecular formula C10H11N3O4 and a molecular weight of 237.21 g/mol. Its IUPAC name is 6-methoxycarbonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name6-methoxycarbonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxylic acid
PubChem CID83919128
Molecular FormulaC10H11N3O4
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name6-methoxycarbonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxylic acid
SMILESCOC(=O)N1CCc2nc(C(=O)O)ncc2C1
InChIInChI=1S/C10H11N3O4/c1-17-10(16)13-3-2-7-6(5-13)4-11-8(12-7)9(14)15/h4H,2-3,5H2,1H3,(H,14,15)
InChIKeyPJWVCUXYIWDPSN-UHFFFAOYSA-N
XLogP0.30
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxycarbonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxylic acid?
The IUPAC name of 6-methoxycarbonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxylic acid (CID 83919128) is 6-methoxycarbonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 6-methoxycarbonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxylic acid?
The canonical SMILES for 6-methoxycarbonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxylic acid is COC(=O)N1CCc2nc(C(=O)O)ncc2C1.
What is the InChIKey of 6-methoxycarbonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxylic acid?
The InChIKey is PJWVCUXYIWDPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-17-10(16)13-3-2-7-6(5-13)4-11-8(12-7)9(14)15/h4H,2-3,5H2,1H3,(H,14,15).
What are the key properties of 6-methoxycarbonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxylic acid?
6-methoxycarbonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxylic acid has a molecular weight of 237.21 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxycarbonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 83919128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).