2-chloropyrido[3,2-d]pyrimidine-6-carboxylic acid

C8H4ClN3O2 — CID 82612248

IUPAC2-chloropyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(Cl)ncc2n1
InChIInChI=1S/C8H4ClN3O2/c9-8-10-3-6-4(12-8)1-2-5(11-6)7(13)14/h1-3H,(H,13,14)
InChIKeyQLLYOVSERZTART-UHFFFAOYSA-N
MW209.59 g/mol
LogP1.38
Rot. Bonds1

About 2-chloropyrido[3,2-d]pyrimidine-6-carboxylic acid

2-chloropyrido[3,2-d]pyrimidine-6-carboxylic acid (PubChem CID 82612248) has the molecular formula C8H4ClN3O2 and a molecular weight of 209.59 g/mol. Its IUPAC name is 2-chloropyrido[3,2-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-chloropyrido[3,2-d]pyrimidine-6-carboxylic acid
PubChem CID82612248
Molecular FormulaC8H4ClN3O2
Molecular Weight209.59 g/mol
Exact Mass209.00
IUPAC Name2-chloropyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(Cl)ncc2n1
InChIInChI=1S/C8H4ClN3O2/c9-8-10-3-6-4(12-8)1-2-5(11-6)7(13)14/h1-3H,(H,13,14)
InChIKeyQLLYOVSERZTART-UHFFFAOYSA-N
XLogP1.38
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.59
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-imidazol-1-yl)pyridine-2-carboxylic acid
CID 26967237
1,5-Naphthyridine-2-carboxylic acid
CID 12426408
4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 52936351
Pyrido[2,3-b]pyrazine-6-carboxylic acid
CID 4739091
5-(1H-Imidazol-1-yl)-2-pyridinecarboxylic acid
CID 58252531
7-Bromopyrido[2,3-b]pyrazine-6-carboxylic acid
CID 2050115
1-methyl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid dihydrochloride
CID 138040516
3-methyl-3H-imidazo[4,5-c]pyridine-6-carboxylic acid dihydrochloride
CID 138040786
Pyrido(2,3) pyrimidine-6-carboxylic acid
CID 69724053
Pyridopyrimidine-7-carboxylic acid
CID 129792074
1-Methyl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 21892209
3-methyl-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 23000206

Frequently Asked Questions

What is the IUPAC name of 2-chloropyrido[3,2-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-chloropyrido[3,2-d]pyrimidine-6-carboxylic acid (CID 82612248) is 2-chloropyrido[3,2-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-chloropyrido[3,2-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-chloropyrido[3,2-d]pyrimidine-6-carboxylic acid is O=C(O)c1ccc2nc(Cl)ncc2n1.
What is the InChIKey of 2-chloropyrido[3,2-d]pyrimidine-6-carboxylic acid?
The InChIKey is QLLYOVSERZTART-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClN3O2/c9-8-10-3-6-4(12-8)1-2-5(11-6)7(13)14/h1-3H,(H,13,14).
What are the key properties of 2-chloropyrido[3,2-d]pyrimidine-6-carboxylic acid?
2-chloropyrido[3,2-d]pyrimidine-6-carboxylic acid has a molecular weight of 209.59 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropyrido[3,2-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 82612248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).