2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride

C5H5ClN2O3 — CID 142106869

IUPAC2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnc(=O)[nH]c1
InChIInChI=1S/C5H4N2O3.ClH/c8-4(9)3-1-6-5(10)7-2-3;/h1-2H,(H,8,9)(H,6,7,10);1H
InChIKeySYXIPHMAYSVKIY-UHFFFAOYSA-N
MW176.56 g/mol
LogP-0.11
Rot. Bonds1

About 2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride

2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride (PubChem CID 142106869) has the molecular formula C5H5ClN2O3 and a molecular weight of 176.56 g/mol. Its IUPAC name is 2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride
PubChem CID142106869
Molecular FormulaC5H5ClN2O3
Molecular Weight176.56 g/mol
Exact Mass176.00
IUPAC Name2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnc(=O)[nH]c1
InChIInChI=1S/C5H4N2O3.ClH/c8-4(9)3-1-6-5(10)7-2-3;/h1-2H,(H,8,9)(H,6,7,10);1H
InChIKeySYXIPHMAYSVKIY-UHFFFAOYSA-N
XLogP-0.11
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.56
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-oxo-1H-pyrimidin-5-yl)oxy]benzoic acid
CID 115038673
5-(trifluoromethyl)-1H-pyrimidin-2-one;hydrochloride
CID 175748169
2-[(2-oxo-1H-pyrimidin-5-yl)oxy]acetic acid
CID 117229845
5-(hydroxymethyl)-1H-pyrimidin-2-one
CID 45080272
2-chloro-5-(2-oxo-1H-pyrimidin-5-yl)benzoic acid
CID 53222416
pyridine-2,5-dicarboxylic acid
CID 158970171
6-oxo-1H-pyridine-3-carboxylic acid
CID 161433889
2-[(2-oxo-1H-pyrimidin-5-yl)amino]benzoic acid
CID 115038092
2-aminopyrimidine-5-carboxylic acid
CID 7020367
4-(2-chlorophenyl)-3-[(2-oxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid
CID 71074694
2-(4-oxo-1H-pyridin-2-yl)pyrimidine-5-carboxylic acid
CID 71743302
5-(2-oxopropoxy)-1H-pyrimidin-2-one
CID 117230703

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride?
The IUPAC name of 2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride (CID 142106869) is 2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride?
The canonical SMILES for 2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride is Cl.O=C(O)c1cnc(=O)[nH]c1.
What is the InChIKey of 2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride?
The InChIKey is SYXIPHMAYSVKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O3.ClH/c8-4(9)3-1-6-5(10)7-2-3;/h1-2H,(H,8,9)(H,6,7,10);1H.
What are the key properties of 2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride?
2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride has a molecular weight of 176.56 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 142106869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).