5-chloro-2-hydroxy-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide

C15H11ClN2O3 — CID 60803839

IUPAC5-chloro-2-hydroxy-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1cccc(C#CCO)n1)c1cc(Cl)ccc1O
InChIInChI=1S/C15H11ClN2O3/c16-10-6-7-13(20)12(9-10)15(21)18-14-5-1-3-11(17-14)4-2-8-19/h1,3,5-7,9,19-20H,8H2,(H,17,18,21)
InChIKeyHONVVHFMJLVBEO-UHFFFAOYSA-N
MW302.72 g/mol
LogP2.04
Rot. Bonds2

About 5-chloro-2-hydroxy-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide

5-chloro-2-hydroxy-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide (PubChem CID 60803839) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
PubChem CID60803839
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name5-chloro-2-hydroxy-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1cccc(C#CCO)n1)c1cc(Cl)ccc1O
InChIInChI=1S/C15H11ClN2O3/c16-10-6-7-13(20)12(9-10)15(21)18-14-5-1-3-11(17-14)4-2-8-19/h1,3,5-7,9,19-20H,8H2,(H,17,18,21)
InChIKeyHONVVHFMJLVBEO-UHFFFAOYSA-N
XLogP2.04
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-chloro-2-methylbenzamide
CID 82874779
3-chloro-4-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 82876344
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-hydroxy-5-methylbenzamide
CID 60814416
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoro-2-hydroxybenzamide
CID 115299483
3-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]pyridine-4-carboxamide
CID 64951684
5-chloro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]thiophene-2-carboxamide
CID 62276510
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2,2-dimethylbutanamide
CID 62677687
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-chloro-2-fluorobenzamide
CID 81267639
5-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]pyridine-3-carboxamide
CID 104786279
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 60805086
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-methylpyrrole-2-carboxamide
CID 60803494
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylsulfanylbenzamide
CID 79214082

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide (CID 60803839) is 5-chloro-2-hydroxy-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide is O=C(Nc1cccc(C#CCO)n1)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide?
The InChIKey is HONVVHFMJLVBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c16-10-6-7-13(20)12(9-10)15(21)18-14-5-1-3-11(17-14)4-2-8-19/h1,3,5-7,9,19-20H,8H2,(H,17,18,21).
What are the key properties of 5-chloro-2-hydroxy-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide?
5-chloro-2-hydroxy-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide has a molecular weight of 302.72 g/mol, XLogP of 2.04, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 60803839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).