5-bromo-N'-(1-pyridin-4-ylethenyl)furan-2-carbohydrazide

C12H10BrN3O2 — CID 4745345

IUPAC5-bromo-N'-(1-pyridin-4-ylethenyl)furan-2-carbohydrazide
SMILESC=C(NNC(=O)c1ccc(Br)o1)c1ccncc1
InChIInChI=1S/C12H10BrN3O2/c1-8(9-4-6-14-7-5-9)15-16-12(17)10-2-3-11(13)18-10/h2-7,15H,1H2,(H,16,17)
InChIKeyZZYWBZTUFNGJJA-UHFFFAOYSA-N
MW308.14 g/mol
LogP2.34
Rot. Bonds4

About 5-bromo-N'-(1-pyridin-4-ylethenyl)furan-2-carbohydrazide

5-bromo-N'-(1-pyridin-4-ylethenyl)furan-2-carbohydrazide (PubChem CID 4745345) has the molecular formula C12H10BrN3O2 and a molecular weight of 308.14 g/mol. Its IUPAC name is 5-bromo-N'-(1-pyridin-4-ylethenyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N'-(1-pyridin-4-ylethenyl)furan-2-carbohydrazide
PubChem CID4745345
Molecular FormulaC12H10BrN3O2
Molecular Weight308.14 g/mol
Exact Mass307.00
IUPAC Name5-bromo-N'-(1-pyridin-4-ylethenyl)furan-2-carbohydrazide
SMILESC=C(NNC(=O)c1ccc(Br)o1)c1ccncc1
InChIInChI=1S/C12H10BrN3O2/c1-8(9-4-6-14-7-5-9)15-16-12(17)10-2-3-11(13)18-10/h2-7,15H,1H2,(H,16,17)
InChIKeyZZYWBZTUFNGJJA-UHFFFAOYSA-N
XLogP2.34
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(4-cyanophenyl)ethenyl]pyridine-4-carbohydrazide
CID 2379623
5-bromo-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 2171671
5-bromo-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide
CID 55787295
N'-[1-[4-(dimethylamino)phenyl]ethenyl]pyridine-4-carbohydrazide
CID 4694656
(1S,2R,3S,4S)-3-[[(5-bromofuran-2-carbonyl)amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 51017946
5-bromo-N'-(2-nitrobenzoyl)furan-2-carbohydrazide
CID 5121277
5-bromo-N'-(3,4-dimethoxybenzoyl)furan-2-carbohydrazide
CID 2355027
N-[4-[[(5-bromofuran-2-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 4802460
trans-(1R,2R)-2-[[(5-bromofuran-2-carbonyl)amino]carbamoyl]cyclohexane-1-carboxylate
CID 7310004
N-[4-[[(5-bromofuran-2-carbonyl)amino]carbamoyl]phenyl]-4-tert-butylbenzamide
CID 3379575
1-[(5-bromofuran-2-carbonyl)amino]-3-cyclohexylurea
CID 4678581
5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 750404

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-(1-pyridin-4-ylethenyl)furan-2-carbohydrazide?
The IUPAC name of 5-bromo-N'-(1-pyridin-4-ylethenyl)furan-2-carbohydrazide (CID 4745345) is 5-bromo-N'-(1-pyridin-4-ylethenyl)furan-2-carbohydrazide.
What is the SMILES notation for 5-bromo-N'-(1-pyridin-4-ylethenyl)furan-2-carbohydrazide?
The canonical SMILES for 5-bromo-N'-(1-pyridin-4-ylethenyl)furan-2-carbohydrazide is C=C(NNC(=O)c1ccc(Br)o1)c1ccncc1.
What is the InChIKey of 5-bromo-N'-(1-pyridin-4-ylethenyl)furan-2-carbohydrazide?
The InChIKey is ZZYWBZTUFNGJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O2/c1-8(9-4-6-14-7-5-9)15-16-12(17)10-2-3-11(13)18-10/h2-7,15H,1H2,(H,16,17).
What are the key properties of 5-bromo-N'-(1-pyridin-4-ylethenyl)furan-2-carbohydrazide?
5-bromo-N'-(1-pyridin-4-ylethenyl)furan-2-carbohydrazide has a molecular weight of 308.14 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-(1-pyridin-4-ylethenyl)furan-2-carbohydrazide is sourced from PubChem (CID 4745345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).