2-(5-chloro-6-methylpyrimidin-4-yl)oxyacetic acid

C7H7ClN2O3 — CID 94077094

IUPAC2-(5-chloro-6-methylpyrimidin-4-yl)oxyacetic acid
SMILESCc1ncnc(OCC(=O)O)c1Cl
InChIInChI=1S/C7H7ClN2O3/c1-4-6(8)7(10-3-9-4)13-2-5(11)12/h3H,2H2,1H3,(H,11,12)
InChIKeyPCRBXHWBZKEEAR-UHFFFAOYSA-N
MW202.60 g/mol
LogP0.90
Rot. Bonds3

About 2-(5-chloro-6-methylpyrimidin-4-yl)oxyacetic acid

2-(5-chloro-6-methylpyrimidin-4-yl)oxyacetic acid (PubChem CID 94077094) has the molecular formula C7H7ClN2O3 and a molecular weight of 202.60 g/mol. Its IUPAC name is 2-(5-chloro-6-methylpyrimidin-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(5-chloro-6-methylpyrimidin-4-yl)oxyacetic acid
PubChem CID94077094
Molecular FormulaC7H7ClN2O3
Molecular Weight202.60 g/mol
Exact Mass202.01
IUPAC Name2-(5-chloro-6-methylpyrimidin-4-yl)oxyacetic acid
SMILESCc1ncnc(OCC(=O)O)c1Cl
InChIInChI=1S/C7H7ClN2O3/c1-4-6(8)7(10-3-9-4)13-2-5(11)12/h3H,2H2,1H3,(H,11,12)
InChIKeyPCRBXHWBZKEEAR-UHFFFAOYSA-N
XLogP0.90
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.60
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-6-methylpyrimidin-4-yl)oxyacetic acid?
The IUPAC name of 2-(5-chloro-6-methylpyrimidin-4-yl)oxyacetic acid (CID 94077094) is 2-(5-chloro-6-methylpyrimidin-4-yl)oxyacetic acid.
What is the SMILES notation for 2-(5-chloro-6-methylpyrimidin-4-yl)oxyacetic acid?
The canonical SMILES for 2-(5-chloro-6-methylpyrimidin-4-yl)oxyacetic acid is Cc1ncnc(OCC(=O)O)c1Cl.
What is the InChIKey of 2-(5-chloro-6-methylpyrimidin-4-yl)oxyacetic acid?
The InChIKey is PCRBXHWBZKEEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O3/c1-4-6(8)7(10-3-9-4)13-2-5(11)12/h3H,2H2,1H3,(H,11,12).
What are the key properties of 2-(5-chloro-6-methylpyrimidin-4-yl)oxyacetic acid?
2-(5-chloro-6-methylpyrimidin-4-yl)oxyacetic acid has a molecular weight of 202.60 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-6-methylpyrimidin-4-yl)oxyacetic acid is sourced from PubChem (CID 94077094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).