2-(5-chloropyrimidin-2-yl)acetic acid

C6H5ClN2O2 — CID 55262495

IUPAC2-(5-chloropyrimidin-2-yl)acetic acid
SMILESO=C(O)Cc1ncc(Cl)cn1
InChIInChI=1S/C6H5ClN2O2/c7-4-2-8-5(9-3-4)1-6(10)11/h2-3H,1H2,(H,10,11)
InChIKeySDIHDHLHARYHAH-UHFFFAOYSA-N
MW172.57 g/mol
LogP0.76
Rot. Bonds2

About 2-(5-chloropyrimidin-2-yl)acetic acid

2-(5-chloropyrimidin-2-yl)acetic acid (PubChem CID 55262495) has the molecular formula C6H5ClN2O2 and a molecular weight of 172.57 g/mol. Its IUPAC name is 2-(5-chloropyrimidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-chloropyrimidin-2-yl)acetic acid
PubChem CID55262495
Molecular FormulaC6H5ClN2O2
Molecular Weight172.57 g/mol
Exact Mass172.00
IUPAC Name2-(5-chloropyrimidin-2-yl)acetic acid
SMILESO=C(O)Cc1ncc(Cl)cn1
InChIInChI=1S/C6H5ClN2O2/c7-4-2-8-5(9-3-4)1-6(10)11/h2-3H,1H2,(H,10,11)
InChIKeySDIHDHLHARYHAH-UHFFFAOYSA-N
XLogP0.76
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.57
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloropyrimidin-2-yl)acetic acid?
The IUPAC name of 2-(5-chloropyrimidin-2-yl)acetic acid (CID 55262495) is 2-(5-chloropyrimidin-2-yl)acetic acid.
What is the SMILES notation for 2-(5-chloropyrimidin-2-yl)acetic acid?
The canonical SMILES for 2-(5-chloropyrimidin-2-yl)acetic acid is O=C(O)Cc1ncc(Cl)cn1.
What is the InChIKey of 2-(5-chloropyrimidin-2-yl)acetic acid?
The InChIKey is SDIHDHLHARYHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O2/c7-4-2-8-5(9-3-4)1-6(10)11/h2-3H,1H2,(H,10,11).
What are the key properties of 2-(5-chloropyrimidin-2-yl)acetic acid?
2-(5-chloropyrimidin-2-yl)acetic acid has a molecular weight of 172.57 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloropyrimidin-2-yl)acetic acid is sourced from PubChem (CID 55262495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).