2-(4-hydroxyphenyl)pyrimidine-5-carboxylic acid

C11H8N2O3 — CID 135574114

IUPAC2-(4-hydroxyphenyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(O)cc2)nc1
InChIInChI=1S/C11H8N2O3/c14-9-3-1-7(2-4-9)10-12-5-8(6-13-10)11(15)16/h1-6,14H,(H,15,16)
InChIKeyKSKQVBAUECLKGR-UHFFFAOYSA-N
MW216.20 g/mol
LogP1.55
Rot. Bonds2

About 2-(4-hydroxyphenyl)pyrimidine-5-carboxylic acid

2-(4-hydroxyphenyl)pyrimidine-5-carboxylic acid (PubChem CID 135574114) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)pyrimidine-5-carboxylic acid
PubChem CID135574114
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name2-(4-hydroxyphenyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(O)cc2)nc1
InChIInChI=1S/C11H8N2O3/c14-9-3-1-7(2-4-9)10-12-5-8(6-13-10)11(15)16/h1-6,14H,(H,15,16)
InChIKeyKSKQVBAUECLKGR-UHFFFAOYSA-N
XLogP1.55
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-methylpyrimidin-2-yl)phenol
CID 135581358
2-(4-butoxyphenyl)pyrimidine-5-carboxylic acid
CID 14765882
4-hydroxy(11C)benzoic acid
CID 11275035
ethane;4-(4-hydroxyphenyl)benzoic acid
CID 91010322
2-(3-chloro-4-methylphenyl)pyrimidine-5-carboxylic acid
CID 24903647
2-[4-(12-hydroxydodecoxy)phenyl]pyrimidine-5-carboxylic acid
CID 101149310
2-(4-hexylphenyl)pyrimidine-5-carboxylic acid
CID 21388858
4-[3,5-bis(4-hydroxyphenyl)phenyl]benzoic acid
CID 139775356
6-hydroxyquinoline-3-carboxylic acid
CID 58902455
4-hydroxybenzoic acid;decahydrate
CID 140502755
4-hydroxybenzoic acid;silver
CID 88784168
4-hydroxybenzoic acid;tetrahydrate
CID 158154319

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(4-hydroxyphenyl)pyrimidine-5-carboxylic acid (CID 135574114) is 2-(4-hydroxyphenyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(4-hydroxyphenyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(4-hydroxyphenyl)pyrimidine-5-carboxylic acid is O=C(O)c1cnc(-c2ccc(O)cc2)nc1.
What is the InChIKey of 2-(4-hydroxyphenyl)pyrimidine-5-carboxylic acid?
The InChIKey is KSKQVBAUECLKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-9-3-1-7(2-4-9)10-12-5-8(6-13-10)11(15)16/h1-6,14H,(H,15,16).
What are the key properties of 2-(4-hydroxyphenyl)pyrimidine-5-carboxylic acid?
2-(4-hydroxyphenyl)pyrimidine-5-carboxylic acid has a molecular weight of 216.20 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 135574114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).