2-(pyrimidin-2-ylmethoxy)benzoic acid

C12H10N2O3 — CID 62698186

IUPAC2-(pyrimidin-2-ylmethoxy)benzoic acid
SMILESO=C(O)c1ccccc1OCc1ncccn1
InChIInChI=1S/C12H10N2O3/c15-12(16)9-4-1-2-5-10(9)17-8-11-13-6-3-7-14-11/h1-7H,8H2,(H,15,16)
InChIKeyMNNROAZMIXDMSD-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.75
Rot. Bonds4

About 2-(pyrimidin-2-ylmethoxy)benzoic acid

2-(pyrimidin-2-ylmethoxy)benzoic acid (PubChem CID 62698186) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-(pyrimidin-2-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name2-(pyrimidin-2-ylmethoxy)benzoic acid
PubChem CID62698186
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name2-(pyrimidin-2-ylmethoxy)benzoic acid
SMILESO=C(O)c1ccccc1OCc1ncccn1
InChIInChI=1S/C12H10N2O3/c15-12(16)9-4-1-2-5-10(9)17-8-11-13-6-3-7-14-11/h1-7H,8H2,(H,15,16)
InChIKeyMNNROAZMIXDMSD-UHFFFAOYSA-N
XLogP1.75
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[6-[(2-carboxyphenoxy)methyl]-2-pyridinyl]methoxy]benzoic acid
CID 15529741
2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
2-[(2-fluorophenyl)methoxy]benzoic acid
CID 8707038
2-(1,3-benzoxazol-2-ylmethoxy)benzoic acid
CID 43214774
2-(fluoromethoxy)benzoic acid;hydrochloride
CID 141112682
2-ethoxybenzoic acid;zinc
CID 172723273
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647
2-(thiophen-3-ylmethoxy)benzoic acid
CID 43646082
2-[(2-benzylphenyl)methoxy]benzoic acid
CID 22362973
2-(furan-2-ylmethoxy)benzoic acid
CID 28604768
potassium;2-ethoxybenzoic acid;hydride
CID 175278645

Frequently Asked Questions

What is the IUPAC name of 2-(pyrimidin-2-ylmethoxy)benzoic acid?
The IUPAC name of 2-(pyrimidin-2-ylmethoxy)benzoic acid (CID 62698186) is 2-(pyrimidin-2-ylmethoxy)benzoic acid.
What is the SMILES notation for 2-(pyrimidin-2-ylmethoxy)benzoic acid?
The canonical SMILES for 2-(pyrimidin-2-ylmethoxy)benzoic acid is O=C(O)c1ccccc1OCc1ncccn1.
What is the InChIKey of 2-(pyrimidin-2-ylmethoxy)benzoic acid?
The InChIKey is MNNROAZMIXDMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-12(16)9-4-1-2-5-10(9)17-8-11-13-6-3-7-14-11/h1-7H,8H2,(H,15,16).
What are the key properties of 2-(pyrimidin-2-ylmethoxy)benzoic acid?
2-(pyrimidin-2-ylmethoxy)benzoic acid has a molecular weight of 230.22 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrimidin-2-ylmethoxy)benzoic acid is sourced from PubChem (CID 62698186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).