5-chloro-1,2-dihydropyrimidine-2-carboxylic acid

C5H5ClN2O2 — CID 70234858

IUPAC5-chloro-1,2-dihydropyrimidine-2-carboxylic acid
SMILESO=C(O)C1N=CC(Cl)=CN1
InChIInChI=1S/C5H5ClN2O2/c6-3-1-7-4(5(9)10)8-2-3/h1-2,4,7H,(H,9,10)
InChIKeyNSORYYVXWRTEKE-UHFFFAOYSA-N
MW160.56 g/mol
LogP0.15
Rot. Bonds1

About 5-chloro-1,2-dihydropyrimidine-2-carboxylic acid

5-chloro-1,2-dihydropyrimidine-2-carboxylic acid (PubChem CID 70234858) has the molecular formula C5H5ClN2O2 and a molecular weight of 160.56 g/mol. Its IUPAC name is 5-chloro-1,2-dihydropyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1,2-dihydropyrimidine-2-carboxylic acid
PubChem CID70234858
Molecular FormulaC5H5ClN2O2
Molecular Weight160.56 g/mol
Exact Mass160.00
IUPAC Name5-chloro-1,2-dihydropyrimidine-2-carboxylic acid
SMILESO=C(O)C1N=CC(Cl)=CN1
InChIInChI=1S/C5H5ClN2O2/c6-3-1-7-4(5(9)10)8-2-3/h1-2,4,7H,(H,9,10)
InChIKeyNSORYYVXWRTEKE-UHFFFAOYSA-N
XLogP0.15
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.56
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-fluoro-1H-pyrimidine-2-carboxylic acid
CID 154024008
1,2-Dihydropyrimidine-2-carboxylic acid
CID 21293370
2-amino-1H-pyrimidine-2-carboxylic acid
CID 69115924
2-chloro-1H-pyrimidine-2-carboxylic acid
CID 150597451
2-[(3-Amino-2-chloroprop-2-enylidene)amino]acetic acid
CID 173480036

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,2-dihydropyrimidine-2-carboxylic acid?
The IUPAC name of 5-chloro-1,2-dihydropyrimidine-2-carboxylic acid (CID 70234858) is 5-chloro-1,2-dihydropyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-chloro-1,2-dihydropyrimidine-2-carboxylic acid?
The canonical SMILES for 5-chloro-1,2-dihydropyrimidine-2-carboxylic acid is O=C(O)C1N=CC(Cl)=CN1.
What is the InChIKey of 5-chloro-1,2-dihydropyrimidine-2-carboxylic acid?
The InChIKey is NSORYYVXWRTEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O2/c6-3-1-7-4(5(9)10)8-2-3/h1-2,4,7H,(H,9,10).
What are the key properties of 5-chloro-1,2-dihydropyrimidine-2-carboxylic acid?
5-chloro-1,2-dihydropyrimidine-2-carboxylic acid has a molecular weight of 160.56 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,2-dihydropyrimidine-2-carboxylic acid is sourced from PubChem (CID 70234858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).