5-chloro-2-hydroxy-N-pyrimidin-4-ylbenzamide

C11H8ClN3O2 — CID 156706077

IUPAC5-chloro-2-hydroxy-N-pyrimidin-4-ylbenzamide
SMILESO=C(Nc1ccncn1)c1cc(Cl)ccc1O
InChIInChI=1S/C11H8ClN3O2/c12-7-1-2-9(16)8(5-7)11(17)15-10-3-4-13-6-14-10/h1-6,16H,(H,13,14,15,17)
InChIKeyITWUHDLKGUUIOD-UHFFFAOYSA-N
MW249.66 g/mol
LogP2.09
Rot. Bonds2

About 5-chloro-2-hydroxy-N-pyrimidin-4-ylbenzamide

5-chloro-2-hydroxy-N-pyrimidin-4-ylbenzamide (PubChem CID 156706077) has the molecular formula C11H8ClN3O2 and a molecular weight of 249.66 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-pyrimidin-4-ylbenzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-pyrimidin-4-ylbenzamide
PubChem CID156706077
Molecular FormulaC11H8ClN3O2
Molecular Weight249.66 g/mol
Exact Mass249.03
IUPAC Name5-chloro-2-hydroxy-N-pyrimidin-4-ylbenzamide
SMILESO=C(Nc1ccncn1)c1cc(Cl)ccc1O
InChIInChI=1S/C11H8ClN3O2/c12-7-1-2-9(16)8(5-7)11(17)15-10-3-4-13-6-14-10/h1-6,16H,(H,13,14,15,17)
InChIKeyITWUHDLKGUUIOD-UHFFFAOYSA-N
XLogP2.09
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2-chloropyrimidin-5-yl)-2-hydroxybenzamide
CID 121352747
N-(5-chloro-2-pyridinyl)-2-hydroxy-5-methylbenzamide
CID 28831587
2-amino-3-chloro-N-pyrimidin-4-ylbenzamide
CID 82547270
5-chloro-2-hydroxy-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide
CID 168876082
5-chloro-N-(3-fluoro-4-pyridin-4-ylphenyl)-2-hydroxybenzamide
CID 59204906
5-chloro-2-hydroxy-N-(2-methylpyrimidin-5-yl)benzamide
CID 167975567
5-chloro-2-hydroxy-N-sulfanylbenzamide
CID 130240285
5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-hydroxybenzamide
CID 163300797
1-(4-chlorophenyl)-N-pyrimidin-4-ylcyclopropane-1-carboxamide
CID 110464732
5-chloro-N-(4-chloro-2-pyridinyl)-2-fluorobenzamide
CID 113236117
5-chloro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 62812024
3-chloro-N-[5-(2-chloro-4,5-dihydroxyphenyl)-2-pyridinyl]pyridine-4-carboxamide
CID 137152670

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-pyrimidin-4-ylbenzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-pyrimidin-4-ylbenzamide (CID 156706077) is 5-chloro-2-hydroxy-N-pyrimidin-4-ylbenzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-pyrimidin-4-ylbenzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-pyrimidin-4-ylbenzamide is O=C(Nc1ccncn1)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-pyrimidin-4-ylbenzamide?
The InChIKey is ITWUHDLKGUUIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O2/c12-7-1-2-9(16)8(5-7)11(17)15-10-3-4-13-6-14-10/h1-6,16H,(H,13,14,15,17).
What are the key properties of 5-chloro-2-hydroxy-N-pyrimidin-4-ylbenzamide?
5-chloro-2-hydroxy-N-pyrimidin-4-ylbenzamide has a molecular weight of 249.66 g/mol, XLogP of 2.09, 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-pyrimidin-4-ylbenzamide is sourced from PubChem (CID 156706077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).