5-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide

C12H10ClN3O2 — CID 6481045

IUPAC5-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide
SMILESCc1ccnc(NC(=O)c2cc(Cl)ccc2O)n1
InChIInChI=1S/C12H10ClN3O2/c1-7-4-5-14-12(15-7)16-11(18)9-6-8(13)2-3-10(9)17/h2-6,17H,1H3,(H,14,15,16,18)
InChIKeyWTHFLRMLXQAULG-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.40
Rot. Bonds2

About 5-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide

5-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide (PubChem CID 6481045) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide
PubChem CID6481045
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name5-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide
SMILESCc1ccnc(NC(=O)c2cc(Cl)ccc2O)n1
InChIInChI=1S/C12H10ClN3O2/c1-7-4-5-14-12(15-7)16-11(18)9-6-8(13)2-3-10(9)17/h2-6,17H,1H3,(H,14,15,16,18)
InChIKeyWTHFLRMLXQAULG-UHFFFAOYSA-N
XLogP2.40
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide (CID 6481045) is 5-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide is Cc1ccnc(NC(=O)c2cc(Cl)ccc2O)n1.
What is the InChIKey of 5-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide?
The InChIKey is WTHFLRMLXQAULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-7-4-5-14-12(15-7)16-11(18)9-6-8(13)2-3-10(9)17/h2-6,17H,1H3,(H,14,15,16,18).
What are the key properties of 5-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide?
5-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide has a molecular weight of 263.68 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide is sourced from PubChem (CID 6481045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).