N-(4-bromophenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide

C12H10BrFN4O — CID 105387967

IUPACN-(4-bromophenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
SMILESNNc1nccc(C(=O)Nc2ccc(Br)cc2)c1F
InChIInChI=1S/C12H10BrFN4O/c13-7-1-3-8(4-2-7)17-12(19)9-5-6-16-11(18-15)10(9)14/h1-6H,15H2,(H,16,18)(H,17,19)
InChIKeyKUFVGPFDNLEYRS-UHFFFAOYSA-N
MW325.14 g/mol
LogP2.52
Rot. Bonds3

About N-(4-bromophenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide

N-(4-bromophenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide (PubChem CID 105387967) has the molecular formula C12H10BrFN4O and a molecular weight of 325.14 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
PubChem CID105387967
Molecular FormulaC12H10BrFN4O
Molecular Weight325.14 g/mol
Exact Mass324.00
IUPAC NameN-(4-bromophenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
SMILESNNc1nccc(C(=O)Nc2ccc(Br)cc2)c1F
InChIInChI=1S/C12H10BrFN4O/c13-7-1-3-8(4-2-7)17-12(19)9-5-6-16-11(18-15)10(9)14/h1-6H,15H2,(H,16,18)(H,17,19)
InChIKeyKUFVGPFDNLEYRS-UHFFFAOYSA-N
XLogP2.52
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.14
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(4-bromo-3-methoxyphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388543
N-(3-bromo-5-methoxyphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388544
3-fluoro-N-(3-fluorophenyl)-2-hydrazinylpyridine-4-carboxamide
CID 105387962
3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388119
3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-4-carboxamide
CID 105388132
3-fluoro-N-(4-fluoro-2-methylphenyl)-2-hydrazinylpyridine-4-carboxamide
CID 105387986
3-fluoro-2-hydrazinyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide
CID 105388648
N-(2,5-dimethylphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105387954
N-(2,5-difluoro-4-methylphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 103587401
N-[4-(carbamoylamino)phenyl]-2,3-difluoropyridine-4-carboxamide
CID 105380731
N-[(2-bromophenyl)methyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388066
3-fluoro-2-hydrazinyl-N-(4-methyl-1,3-oxazol-2-yl)pyridine-4-carboxamide
CID 105388646

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide (CID 105387967) is N-(4-bromophenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide is NNc1nccc(C(=O)Nc2ccc(Br)cc2)c1F.
What is the InChIKey of N-(4-bromophenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
The InChIKey is KUFVGPFDNLEYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN4O/c13-7-1-3-8(4-2-7)17-12(19)9-5-6-16-11(18-15)10(9)14/h1-6H,15H2,(H,16,18)(H,17,19).
What are the key properties of N-(4-bromophenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
N-(4-bromophenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide has a molecular weight of 325.14 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide is sourced from PubChem (CID 105387967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).