methyl 2-hydroxybenzoate;pyrimidine

C12H12N2O3 — CID 157250950

IUPACmethyl 2-hydroxybenzoate;pyrimidine
SMILESCOC(=O)c1ccccc1O.c1cncnc1
InChIInChI=1S/C8H8O3.C4H4N2/c1-11-8(10)6-4-2-3-5-7(6)9;1-2-5-4-6-3-1/h2-5,9H,1H3;1-4H
InChIKeyAWILOEFNPQZQEZ-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.66
Rot. Bonds1

About methyl 2-hydroxybenzoate;pyrimidine

methyl 2-hydroxybenzoate;pyrimidine (PubChem CID 157250950) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is methyl 2-hydroxybenzoate;pyrimidine.

Molecular Properties

Compound Namemethyl 2-hydroxybenzoate;pyrimidine
PubChem CID157250950
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Namemethyl 2-hydroxybenzoate;pyrimidine
SMILESCOC(=O)c1ccccc1O.c1cncnc1
InChIInChI=1S/C8H8O3.C4H4N2/c1-11-8(10)6-4-2-3-5-7(6)9;1-2-5-4-6-3-1/h2-5,9H,1H3;1-4H
InChIKeyAWILOEFNPQZQEZ-UHFFFAOYSA-N
XLogP1.66
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

lithium;hydride;methyl 2-hydroxybenzoate
CID 173284844
sodium;hydride;methyl 2-hydroxybenzoate
CID 173007756
methyl 2-hydroxybenzoate;urea
CID 174888687
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-hydroxybenzoate;phenylhydrazine
CID 159763478
1,3-dioxolan-2-one;methyl 2-hydroxybenzoate
CID 158443718
carbonic acid;methyl 2-hydroxybenzoate;phenyl hydrogen carbonate
CID 159882393
[amino(methylsulfanyl)phosphoryl]oxymethane;methyl 2-hydroxybenzoate
CID 175273966
1-carbamimidoylguanidine;methyl 2-hydroxybenzoate
CID 176546663
methyl 2-(methylamino)benzoate;hydrochloride
CID 141440626
CID 71111006
CID 71111006

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxybenzoate;pyrimidine?
The IUPAC name of methyl 2-hydroxybenzoate;pyrimidine (CID 157250950) is methyl 2-hydroxybenzoate;pyrimidine.
What is the SMILES notation for methyl 2-hydroxybenzoate;pyrimidine?
The canonical SMILES for methyl 2-hydroxybenzoate;pyrimidine is COC(=O)c1ccccc1O.c1cncnc1.
What is the InChIKey of methyl 2-hydroxybenzoate;pyrimidine?
The InChIKey is AWILOEFNPQZQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.C4H4N2/c1-11-8(10)6-4-2-3-5-7(6)9;1-2-5-4-6-3-1/h2-5,9H,1H3;1-4H.
What are the key properties of methyl 2-hydroxybenzoate;pyrimidine?
methyl 2-hydroxybenzoate;pyrimidine has a molecular weight of 232.24 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxybenzoate;pyrimidine is sourced from PubChem (CID 157250950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).