2-pyrimidin-5-ylacetic acid;hydrochloride

C6H7ClN2O2 — CID 67009943

IUPAC2-pyrimidin-5-ylacetic acid;hydrochloride
SMILESCl.O=C(O)Cc1cncnc1
InChIInChI=1S/C6H6N2O2.ClH/c9-6(10)1-5-2-7-4-8-3-5;/h2-4H,1H2,(H,9,10);1H
InChIKeyCQLBGLUNQXPKSB-UHFFFAOYSA-N
MW174.59 g/mol
LogP0.53
Rot. Bonds2

About 2-pyrimidin-5-ylacetic acid;hydrochloride

2-pyrimidin-5-ylacetic acid;hydrochloride (PubChem CID 67009943) has the molecular formula C6H7ClN2O2 and a molecular weight of 174.59 g/mol. Its IUPAC name is 2-pyrimidin-5-ylacetic acid;hydrochloride.

Molecular Properties

Compound Name2-pyrimidin-5-ylacetic acid;hydrochloride
PubChem CID67009943
Molecular FormulaC6H7ClN2O2
Molecular Weight174.59 g/mol
Exact Mass174.02
IUPAC Name2-pyrimidin-5-ylacetic acid;hydrochloride
SMILESCl.O=C(O)Cc1cncnc1
InChIInChI=1S/C6H6N2O2.ClH/c9-6(10)1-5-2-7-4-8-3-5;/h2-4H,1H2,(H,9,10);1H
InChIKeyCQLBGLUNQXPKSB-UHFFFAOYSA-N
XLogP0.53
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.59
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-5-ylacetic acid;hydrochloride?
The IUPAC name of 2-pyrimidin-5-ylacetic acid;hydrochloride (CID 67009943) is 2-pyrimidin-5-ylacetic acid;hydrochloride.
What is the SMILES notation for 2-pyrimidin-5-ylacetic acid;hydrochloride?
The canonical SMILES for 2-pyrimidin-5-ylacetic acid;hydrochloride is Cl.O=C(O)Cc1cncnc1.
What is the InChIKey of 2-pyrimidin-5-ylacetic acid;hydrochloride?
The InChIKey is CQLBGLUNQXPKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2.ClH/c9-6(10)1-5-2-7-4-8-3-5;/h2-4H,1H2,(H,9,10);1H.
What are the key properties of 2-pyrimidin-5-ylacetic acid;hydrochloride?
2-pyrimidin-5-ylacetic acid;hydrochloride has a molecular weight of 174.59 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-5-ylacetic acid;hydrochloride is sourced from PubChem (CID 67009943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).