N-(4-bromo-3-methoxyphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide

C13H12BrFN4O2 — CID 105388543

IUPACN-(4-bromo-3-methoxyphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
SMILESCOc1cc(NC(=O)c2ccnc(NN)c2F)ccc1Br
InChIInChI=1S/C13H12BrFN4O2/c1-21-10-6-7(2-3-9(10)14)18-13(20)8-4-5-17-12(19-16)11(8)15/h2-6H,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyLTXDSDBHBPQDSF-UHFFFAOYSA-N
MW355.17 g/mol
LogP2.53
Rot. Bonds4

About N-(4-bromo-3-methoxyphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide

N-(4-bromo-3-methoxyphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide (PubChem CID 105388543) has the molecular formula C13H12BrFN4O2 and a molecular weight of 355.17 g/mol. Its IUPAC name is N-(4-bromo-3-methoxyphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methoxyphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
PubChem CID105388543
Molecular FormulaC13H12BrFN4O2
Molecular Weight355.17 g/mol
Exact Mass354.01
IUPAC NameN-(4-bromo-3-methoxyphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
SMILESCOc1cc(NC(=O)c2ccnc(NN)c2F)ccc1Br
InChIInChI=1S/C13H12BrFN4O2/c1-21-10-6-7(2-3-9(10)14)18-13(20)8-4-5-17-12(19-16)11(8)15/h2-6H,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyLTXDSDBHBPQDSF-UHFFFAOYSA-N
XLogP2.53
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.17
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-5-methoxyphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388544
N-(4-bromophenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105387967
3-fluoro-N-(4-fluoro-2-methoxyphenyl)-2-hydrazinylpyridine-4-carboxamide
CID 105388058
N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyridine-4-carboxamide
CID 82860502
3-fluoro-N-(3-fluorophenyl)-2-hydrazinylpyridine-4-carboxamide
CID 105387962
N-(4-bromo-3-methoxyphenyl)-3-hydroxypyridine-4-carboxamide
CID 80717929
3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-4-carboxamide
CID 105388132
N-(4-bromo-3-methoxyphenyl)-4-fluoro-2-hydroxybenzamide
CID 103830086
4-amino-N-(4-bromo-3-methoxyphenyl)-3,5-difluorobenzamide
CID 82859976
2-amino-N-(4-bromo-3-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 105384093
N-(3-bromo-4-methylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105386278
N-(4-bromo-3-methoxyphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 82859455

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methoxyphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
The IUPAC name of N-(4-bromo-3-methoxyphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide (CID 105388543) is N-(4-bromo-3-methoxyphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methoxyphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
The canonical SMILES for N-(4-bromo-3-methoxyphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide is COc1cc(NC(=O)c2ccnc(NN)c2F)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methoxyphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
The InChIKey is LTXDSDBHBPQDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN4O2/c1-21-10-6-7(2-3-9(10)14)18-13(20)8-4-5-17-12(19-16)11(8)15/h2-6H,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(4-bromo-3-methoxyphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
N-(4-bromo-3-methoxyphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide has a molecular weight of 355.17 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methoxyphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide is sourced from PubChem (CID 105388543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).