3-fluoro-4-methoxy-N'-pyrimidin-2-ylbenzohydrazide

C12H11FN4O2 — CID 86923429

IUPAC3-fluoro-4-methoxy-N'-pyrimidin-2-ylbenzohydrazide
SMILESCOc1ccc(C(=O)NNc2ncccn2)cc1F
InChIInChI=1S/C12H11FN4O2/c1-19-10-4-3-8(7-9(10)13)11(18)16-17-12-14-5-2-6-15-12/h2-7H,1H3,(H,16,18)(H,14,15,17)
InChIKeyFKOBUXLXGAJWLS-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.38
Rot. Bonds4

About 3-fluoro-4-methoxy-N'-pyrimidin-2-ylbenzohydrazide

3-fluoro-4-methoxy-N'-pyrimidin-2-ylbenzohydrazide (PubChem CID 86923429) has the molecular formula C12H11FN4O2 and a molecular weight of 262.24 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N'-pyrimidin-2-ylbenzohydrazide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N'-pyrimidin-2-ylbenzohydrazide
PubChem CID86923429
Molecular FormulaC12H11FN4O2
Molecular Weight262.24 g/mol
Exact Mass262.09
IUPAC Name3-fluoro-4-methoxy-N'-pyrimidin-2-ylbenzohydrazide
SMILESCOc1ccc(C(=O)NNc2ncccn2)cc1F
InChIInChI=1S/C12H11FN4O2/c1-19-10-4-3-8(7-9(10)13)11(18)16-17-12-14-5-2-6-15-12/h2-7H,1H3,(H,16,18)(H,14,15,17)
InChIKeyFKOBUXLXGAJWLS-UHFFFAOYSA-N
XLogP1.38
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-methoxy-N-quinolin-6-ylbenzamide
CID 78878548
3-fluoro-4-methoxy-N-pyridin-3-ylbenzamide
CID 25343484
3,4-dimethoxy-N'-[3-(pyrimidin-2-ylamino)benzoyl]benzohydrazide
CID 31890706
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 27514924
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274
1-(3-fluoro-4-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanone
CID 43220185
(3-fluoro-4-methoxyphenyl)-quinolin-6-ylmethanone
CID 62850433
4-ethoxy-N'-pyrimidin-2-ylbenzohydrazide
CID 47140397
3-fluoro-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787598
(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
methyl 3-fluoro-4-(pyridin-2-ylmethoxy)benzoate
CID 69001811
N'-(3,5-difluorobenzoyl)-3,4-dimethoxybenzohydrazide
CID 24645355

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N'-pyrimidin-2-ylbenzohydrazide?
The IUPAC name of 3-fluoro-4-methoxy-N'-pyrimidin-2-ylbenzohydrazide (CID 86923429) is 3-fluoro-4-methoxy-N'-pyrimidin-2-ylbenzohydrazide.
What is the SMILES notation for 3-fluoro-4-methoxy-N'-pyrimidin-2-ylbenzohydrazide?
The canonical SMILES for 3-fluoro-4-methoxy-N'-pyrimidin-2-ylbenzohydrazide is COc1ccc(C(=O)NNc2ncccn2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N'-pyrimidin-2-ylbenzohydrazide?
The InChIKey is FKOBUXLXGAJWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O2/c1-19-10-4-3-8(7-9(10)13)11(18)16-17-12-14-5-2-6-15-12/h2-7H,1H3,(H,16,18)(H,14,15,17).
What are the key properties of 3-fluoro-4-methoxy-N'-pyrimidin-2-ylbenzohydrazide?
3-fluoro-4-methoxy-N'-pyrimidin-2-ylbenzohydrazide has a molecular weight of 262.24 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N'-pyrimidin-2-ylbenzohydrazide is sourced from PubChem (CID 86923429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).