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

C9H10ClN3O3 — CID 83843446

IUPAC2-chloro-4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
SMILESCOc1nc(Cl)nc2c1CCN(C(=O)O)C2
InChIInChI=1S/C9H10ClN3O3/c1-16-7-5-2-3-13(9(14)15)4-6(5)11-8(10)12-7/h2-4H2,1H3,(H,14,15)
InChIKeyFHTFTDWSLJVNEC-UHFFFAOYSA-N
MW243.65 g/mol
LogP1.17
Rot. Bonds1

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

2-chloro-4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid (PubChem CID 83843446) has the molecular formula C9H10ClN3O3 and a molecular weight of 243.65 g/mol. Its IUPAC name is 2-chloro-4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name2-chloro-4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
PubChem CID83843446
Molecular FormulaC9H10ClN3O3
Molecular Weight243.65 g/mol
Exact Mass243.04
IUPAC Name2-chloro-4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
SMILESCOc1nc(Cl)nc2c1CCN(C(=O)O)C2
InChIInChI=1S/C9H10ClN3O3/c1-16-7-5-2-3-13(9(14)15)4-6(5)11-8(10)12-7/h2-4H2,1H3,(H,14,15)
InChIKeyFHTFTDWSLJVNEC-UHFFFAOYSA-N
XLogP1.17
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methoxy-2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,2,2-trifluoroacetic acid
CID 138635934
2-Cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,2,2-trifluoroacetic acid
CID 138636045
4-Methoxy-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
CID 140041721
tert-butyl 4-methoxy-2-(3,3,3-trifluoropropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 163223046
tert-butyl 4-methoxy-2-(3,3,3-trifluoropropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;ethane
CID 163223212
4-Methoxy-2-(3,3,3-trifluoropropoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 163223550
2-fluoro-7-methyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 172576417
2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)acetamide
CID 16672106
4-Methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 22707067
4-Methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine hydrochloride
CID 50990943
7-Methanidyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-7-ium
CID 58778084
2,4-Dimethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 83668190

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
The IUPAC name of 2-chloro-4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid (CID 83843446) is 2-chloro-4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 2-chloro-4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
The canonical SMILES for 2-chloro-4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid is COc1nc(Cl)nc2c1CCN(C(=O)O)C2.
What is the InChIKey of 2-chloro-4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
The InChIKey is FHTFTDWSLJVNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O3/c1-16-7-5-2-3-13(9(14)15)4-6(5)11-8(10)12-7/h2-4H2,1H3,(H,14,15).
What are the key properties of 2-chloro-4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
2-chloro-4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid has a molecular weight of 243.65 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 83843446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).