3-(5-methylpyrimidin-2-yl)oxynaphthalene-2-carboxylic acid

C16H12N2O3 — CID 63206053

IUPAC3-(5-methylpyrimidin-2-yl)oxynaphthalene-2-carboxylic acid
SMILESCc1cnc(Oc2cc3ccccc3cc2C(=O)O)nc1
InChIInChI=1S/C16H12N2O3/c1-10-8-17-16(18-9-10)21-14-7-12-5-3-2-4-11(12)6-13(14)15(19)20/h2-9H,1H3,(H,19,20)
InChIKeyVVSWYUVEYHJQRF-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.43
Rot. Bonds3

About 3-(5-methylpyrimidin-2-yl)oxynaphthalene-2-carboxylic acid

3-(5-methylpyrimidin-2-yl)oxynaphthalene-2-carboxylic acid (PubChem CID 63206053) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 3-(5-methylpyrimidin-2-yl)oxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-(5-methylpyrimidin-2-yl)oxynaphthalene-2-carboxylic acid
PubChem CID63206053
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name3-(5-methylpyrimidin-2-yl)oxynaphthalene-2-carboxylic acid
SMILESCc1cnc(Oc2cc3ccccc3cc2C(=O)O)nc1
InChIInChI=1S/C16H12N2O3/c1-10-8-17-16(18-9-10)21-14-7-12-5-3-2-4-11(12)6-13(14)15(19)20/h2-9H,1H3,(H,19,20)
InChIKeyVVSWYUVEYHJQRF-UHFFFAOYSA-N
XLogP3.43
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-quinazolin-2-yloxybenzoic acid
CID 114789657
4-methyl-2-pyrimidin-2-yloxybenzoic acid
CID 61395843
2-(5-fluoropyrimidin-2-yl)oxy-5-methylbenzoic acid
CID 104606523
2-fluoro-4-(5-methylpyrimidin-2-yl)oxybenzoic acid
CID 107677373
3-(1,3-thiazol-2-yloxy)naphthalene-2-carboxylic acid
CID 61395519
3-methoxy-4-(5-methylpyrimidin-2-yl)oxybenzoic acid
CID 55161660
3-[3-[3-[3-(3-carboxynaphthalen-2-yl)oxypropoxy]naphthalen-2-yl]oxypropoxy]naphthalene-2-carboxylic acid
CID 67635252
3-(2-aminopropoxy)naphthalene-2-carboxylic acid;hydrochloride
CID 170916397
2-(2-methoxyphenoxy)-4-methylpyrimidine-5-carboxylic acid
CID 83181861
3-[2-(methylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid
CID 18069619
3-(2-methylbutoxy)naphthalene-2-carboxylic acid
CID 62104724
4-bromo-2-(5-iodopyrimidin-2-yl)oxybenzoic acid
CID 116649333

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylpyrimidin-2-yl)oxynaphthalene-2-carboxylic acid?
The IUPAC name of 3-(5-methylpyrimidin-2-yl)oxynaphthalene-2-carboxylic acid (CID 63206053) is 3-(5-methylpyrimidin-2-yl)oxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 3-(5-methylpyrimidin-2-yl)oxynaphthalene-2-carboxylic acid?
The canonical SMILES for 3-(5-methylpyrimidin-2-yl)oxynaphthalene-2-carboxylic acid is Cc1cnc(Oc2cc3ccccc3cc2C(=O)O)nc1.
What is the InChIKey of 3-(5-methylpyrimidin-2-yl)oxynaphthalene-2-carboxylic acid?
The InChIKey is VVSWYUVEYHJQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-10-8-17-16(18-9-10)21-14-7-12-5-3-2-4-11(12)6-13(14)15(19)20/h2-9H,1H3,(H,19,20).
What are the key properties of 3-(5-methylpyrimidin-2-yl)oxynaphthalene-2-carboxylic acid?
3-(5-methylpyrimidin-2-yl)oxynaphthalene-2-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylpyrimidin-2-yl)oxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 63206053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).