N-(5-bromo-2-pyridinyl)-3,5-difluoro-4-hydrazinylbenzamide

C12H9BrF2N4O — CID 63186827

IUPACN-(5-bromo-2-pyridinyl)-3,5-difluoro-4-hydrazinylbenzamide
SMILESNNc1c(F)cc(C(=O)Nc2ccc(Br)cn2)cc1F
InChIInChI=1S/C12H9BrF2N4O/c13-7-1-2-10(17-5-7)18-12(20)6-3-8(14)11(19-16)9(15)4-6/h1-5,19H,16H2,(H,17,18,20)
InChIKeyLMYWYISRCDMEAQ-UHFFFAOYSA-N
MW343.13 g/mol
LogP2.66
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-3,5-difluoro-4-hydrazinylbenzamide

N-(5-bromo-2-pyridinyl)-3,5-difluoro-4-hydrazinylbenzamide (PubChem CID 63186827) has the molecular formula C12H9BrF2N4O and a molecular weight of 343.13 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-3,5-difluoro-4-hydrazinylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-3,5-difluoro-4-hydrazinylbenzamide
PubChem CID63186827
Molecular FormulaC12H9BrF2N4O
Molecular Weight343.13 g/mol
Exact Mass341.99
IUPAC NameN-(5-bromo-2-pyridinyl)-3,5-difluoro-4-hydrazinylbenzamide
SMILESNNc1c(F)cc(C(=O)Nc2ccc(Br)cn2)cc1F
InChIInChI=1S/C12H9BrF2N4O/c13-7-1-2-10(17-5-7)18-12(20)6-3-8(14)11(19-16)9(15)4-6/h1-5,19H,16H2,(H,17,18,20)
InChIKeyLMYWYISRCDMEAQ-UHFFFAOYSA-N
XLogP2.66
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.13
LogP ≤ 52.66
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-(5-bromo-2-fluorophenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186568
N-(5-bromo-2-pyridinyl)-3,5-dimethylbenzamide
CID 953685
N-(5-bromo-2-pyridinyl)-2,6-dichloropyridine-4-carboxamide
CID 43132088
5-amino-N-(5-bromo-2-pyridinyl)-2,4-difluorobenzamide
CID 61092770
N-(5-bromo-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide
CID 63212020
N-(3-bromophenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186774
N-(5-bromo-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770718
4-amino-N-(5-bromo-2-pyridinyl)-3-hydroxybenzamide
CID 107073952
N-(5-bromo-2-pyridinyl)-4-iodobenzamide
CID 4066488
N-(5-bromo-2-pyridinyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642521
N-(5-bromo-2-pyridinyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81256857
N-(5-bromo-2-pyridinyl)-4-(3-fluoro-2-pyridinyl)benzamide
CID 59673732

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-3,5-difluoro-4-hydrazinylbenzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-3,5-difluoro-4-hydrazinylbenzamide (CID 63186827) is N-(5-bromo-2-pyridinyl)-3,5-difluoro-4-hydrazinylbenzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-3,5-difluoro-4-hydrazinylbenzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-3,5-difluoro-4-hydrazinylbenzamide is NNc1c(F)cc(C(=O)Nc2ccc(Br)cn2)cc1F.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-3,5-difluoro-4-hydrazinylbenzamide?
The InChIKey is LMYWYISRCDMEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N4O/c13-7-1-2-10(17-5-7)18-12(20)6-3-8(14)11(19-16)9(15)4-6/h1-5,19H,16H2,(H,17,18,20).
What are the key properties of N-(5-bromo-2-pyridinyl)-3,5-difluoro-4-hydrazinylbenzamide?
N-(5-bromo-2-pyridinyl)-3,5-difluoro-4-hydrazinylbenzamide has a molecular weight of 343.13 g/mol, XLogP of 2.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-3,5-difluoro-4-hydrazinylbenzamide is sourced from PubChem (CID 63186827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).