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

C8H8ClN3O2 — CID 83835396

IUPAC2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
SMILESO=C(O)N1CCc2cnc(Cl)nc2C1
InChIInChI=1S/C8H8ClN3O2/c9-7-10-3-5-1-2-12(8(13)14)4-6(5)11-7/h3H,1-2,4H2,(H,13,14)
InChIKeyGOQGXUYYYNSHRF-UHFFFAOYSA-N
MW213.62 g/mol
LogP1.17
Rot. Bonds

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

2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid (PubChem CID 83835396) has the molecular formula C8H8ClN3O2 and a molecular weight of 213.62 g/mol. Its IUPAC name is 2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
PubChem CID83835396
Molecular FormulaC8H8ClN3O2
Molecular Weight213.62 g/mol
Exact Mass213.03
IUPAC Name2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
SMILESO=C(O)N1CCc2cnc(Cl)nc2C1
InChIInChI=1S/C8H8ClN3O2/c9-7-10-3-5-1-2-12(8(13)14)4-6(5)11-7/h3H,1-2,4H2,(H,13,14)
InChIKeyGOQGXUYYYNSHRF-UHFFFAOYSA-N
XLogP1.17
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
The IUPAC name of 2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid (CID 83835396) is 2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
The canonical SMILES for 2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid is O=C(O)N1CCc2cnc(Cl)nc2C1.
What is the InChIKey of 2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
The InChIKey is GOQGXUYYYNSHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O2/c9-7-10-3-5-1-2-12(8(13)14)4-6(5)11-7/h3H,1-2,4H2,(H,13,14).
What are the key properties of 2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid has a molecular weight of 213.62 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 83835396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).