2-fluoro-N-(5-formyl-1H-pyrazol-4-yl)-6-hydroxybenzamide

C11H8FN3O3 — CID 142995031

IUPAC2-fluoro-N-(5-formyl-1H-pyrazol-4-yl)-6-hydroxybenzamide
SMILESO=Cc1[nH]ncc1NC(=O)c1c(O)cccc1F
InChIInChI=1S/C11H8FN3O3/c12-6-2-1-3-9(17)10(6)11(18)14-7-4-13-15-8(7)5-16/h1-5,17H,(H,13,15)(H,14,18)
InChIKeyWVLIJRIUSIMPCE-UHFFFAOYSA-N
MW249.20 g/mol
LogP1.32
Rot. Bonds3

About 2-fluoro-N-(5-formyl-1H-pyrazol-4-yl)-6-hydroxybenzamide

2-fluoro-N-(5-formyl-1H-pyrazol-4-yl)-6-hydroxybenzamide (PubChem CID 142995031) has the molecular formula C11H8FN3O3 and a molecular weight of 249.20 g/mol. Its IUPAC name is 2-fluoro-N-(5-formyl-1H-pyrazol-4-yl)-6-hydroxybenzamide.

Molecular Properties

Compound Name2-fluoro-N-(5-formyl-1H-pyrazol-4-yl)-6-hydroxybenzamide
PubChem CID142995031
Molecular FormulaC11H8FN3O3
Molecular Weight249.20 g/mol
Exact Mass249.05
IUPAC Name2-fluoro-N-(5-formyl-1H-pyrazol-4-yl)-6-hydroxybenzamide
SMILESO=Cc1[nH]ncc1NC(=O)c1c(O)cccc1F
InChIInChI=1S/C11H8FN3O3/c12-6-2-1-3-9(17)10(6)11(18)14-7-4-13-15-8(7)5-16/h1-5,17H,(H,13,15)(H,14,18)
InChIKeyWVLIJRIUSIMPCE-UHFFFAOYSA-N
XLogP1.32
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;(E)-2-fluorobut-2-ene;2-fluoro-N-(5-formyl-1H-pyrazol-4-yl)-6-hydroxybenzamide;prop-2-en-1-amine
CID 142995030
2,6-difluoro-N-(5-formyl-1H-pyrazol-4-yl)benzamide;2-methylbutane;N-methylmethanamine;propan-1-amine
CID 143263503
2,6-difluoro-N-[5-(4-iodophenyl)-1H-pyrazol-4-yl]benzamide
CID 66770779
4-[(2,6-difluorobenzoyl)amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 24864079
2-fluoro-6-hydroxy-N-(3-hydroxy-2-methylphenyl)benzamide
CID 107015430
2,6-dichloro-N-(5-formyl-1H-pyrazol-4-yl)benzamide;ethanamine;N-methylpropan-1-amine
CID 142995094
2-fluoro-6-hydroxy-N-(2-methyl-3-pyridinyl)benzamide
CID 104917973
ethyl 4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylate
CID 59733474
N-(2,5-difluoro-4-methylphenyl)-2-fluoro-6-hydroxybenzamide
CID 107015415
N-[2-(1-chloroethyl)phenyl]-2-fluoro-6-hydroxybenzamide
CID 107016832
2-fluoro-6-hydroxy-N-(2-propan-2-ylphenyl)benzamide
CID 104916685
2-[(2-fluoro-6-hydroxybenzoyl)amino]-6-methylbenzoic acid
CID 107013606

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(5-formyl-1H-pyrazol-4-yl)-6-hydroxybenzamide?
The IUPAC name of 2-fluoro-N-(5-formyl-1H-pyrazol-4-yl)-6-hydroxybenzamide (CID 142995031) is 2-fluoro-N-(5-formyl-1H-pyrazol-4-yl)-6-hydroxybenzamide.
What is the SMILES notation for 2-fluoro-N-(5-formyl-1H-pyrazol-4-yl)-6-hydroxybenzamide?
The canonical SMILES for 2-fluoro-N-(5-formyl-1H-pyrazol-4-yl)-6-hydroxybenzamide is O=Cc1[nH]ncc1NC(=O)c1c(O)cccc1F.
What is the InChIKey of 2-fluoro-N-(5-formyl-1H-pyrazol-4-yl)-6-hydroxybenzamide?
The InChIKey is WVLIJRIUSIMPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O3/c12-6-2-1-3-9(17)10(6)11(18)14-7-4-13-15-8(7)5-16/h1-5,17H,(H,13,15)(H,14,18).
What are the key properties of 2-fluoro-N-(5-formyl-1H-pyrazol-4-yl)-6-hydroxybenzamide?
2-fluoro-N-(5-formyl-1H-pyrazol-4-yl)-6-hydroxybenzamide has a molecular weight of 249.20 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(5-formyl-1H-pyrazol-4-yl)-6-hydroxybenzamide is sourced from PubChem (CID 142995031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).