5-bromo-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide

C16H12BrN3O3 — CID 17418605

IUPAC5-bromo-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2cncc(Br)c2)oc2ccccc12
InChIInChI=1S/C16H12BrN3O3/c1-9-12-4-2-3-5-13(12)23-14(9)16(22)20-19-15(21)10-6-11(17)8-18-7-10/h2-8H,1H3,(H,19,21)(H,20,22)
InChIKeyUSPQCSGLLLGSFY-UHFFFAOYSA-N
MW374.19 g/mol
LogP2.97
Rot. Bonds2

About 5-bromo-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide

5-bromo-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide (PubChem CID 17418605) has the molecular formula C16H12BrN3O3 and a molecular weight of 374.19 g/mol. Its IUPAC name is 5-bromo-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide
PubChem CID17418605
Molecular FormulaC16H12BrN3O3
Molecular Weight374.19 g/mol
Exact Mass373.01
IUPAC Name5-bromo-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2cncc(Br)c2)oc2ccccc12
InChIInChI=1S/C16H12BrN3O3/c1-9-12-4-2-3-5-13(12)23-14(9)16(22)20-19-15(21)10-6-11(17)8-18-7-10/h2-8H,1H3,(H,19,21)(H,20,22)
InChIKeyUSPQCSGLLLGSFY-UHFFFAOYSA-N
XLogP2.97
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 52.97
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

3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
N'-(3-iodobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685439
N'-benzoyl-5-bromopyridine-3-carbohydrazide
CID 40613239
6-methoxy-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide
CID 27685748
1-(3-bromophenyl)-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea
CID 9237042
3-methyl-N'-[3-(methylsulfonylmethyl)benzoyl]-1-benzofuran-2-carbohydrazide
CID 22109365
N'-[3-(benzenesulfonylmethyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 55789468
N'-(3-methyl-1-benzofuran-2-carbonyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
CID 24607749
3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide
CID 648777
N'-(4-chloro-2-fluorobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27163697
1-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-6-oxopyridazine-3-carbohydrazide
CID 51166600
2-chloro-N,N-dimethyl-5-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 26873876

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide?
The IUPAC name of 5-bromo-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide (CID 17418605) is 5-bromo-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide.
What is the SMILES notation for 5-bromo-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide?
The canonical SMILES for 5-bromo-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide is Cc1c(C(=O)NNC(=O)c2cncc(Br)c2)oc2ccccc12.
What is the InChIKey of 5-bromo-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide?
The InChIKey is USPQCSGLLLGSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O3/c1-9-12-4-2-3-5-13(12)23-14(9)16(22)20-19-15(21)10-6-11(17)8-18-7-10/h2-8H,1H3,(H,19,21)(H,20,22).
What are the key properties of 5-bromo-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide?
5-bromo-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide has a molecular weight of 374.19 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 17418605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).