6-(3-bromophenoxy)-N'-(2-chlorobenzoyl)pyridine-3-carbohydrazide

C19H13BrClN3O3 — CID 55706653

IUPAC6-(3-bromophenoxy)-N'-(2-chlorobenzoyl)pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1Cl)c1ccc(Oc2cccc(Br)c2)nc1
InChIInChI=1S/C19H13BrClN3O3/c20-13-4-3-5-14(10-13)27-17-9-8-12(11-22-17)18(25)23-24-19(26)15-6-1-2-7-16(15)21/h1-11H,(H,23,25)(H,24,26)
InChIKeyWLHZVQSJBWHQGP-UHFFFAOYSA-N
MW446.69 g/mol
LogP4.36
Rot. Bonds4

About 6-(3-bromophenoxy)-N'-(2-chlorobenzoyl)pyridine-3-carbohydrazide

6-(3-bromophenoxy)-N'-(2-chlorobenzoyl)pyridine-3-carbohydrazide (PubChem CID 55706653) has the molecular formula C19H13BrClN3O3 and a molecular weight of 446.69 g/mol. Its IUPAC name is 6-(3-bromophenoxy)-N'-(2-chlorobenzoyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound Name6-(3-bromophenoxy)-N'-(2-chlorobenzoyl)pyridine-3-carbohydrazide
PubChem CID55706653
Molecular FormulaC19H13BrClN3O3
Molecular Weight446.69 g/mol
Exact Mass444.98
IUPAC Name6-(3-bromophenoxy)-N'-(2-chlorobenzoyl)pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1Cl)c1ccc(Oc2cccc(Br)c2)nc1
InChIInChI=1S/C19H13BrClN3O3/c20-13-4-3-5-14(10-13)27-17-9-8-12(11-22-17)18(25)23-24-19(26)15-6-1-2-7-16(15)21/h1-11H,(H,23,25)(H,24,26)
InChIKeyWLHZVQSJBWHQGP-UHFFFAOYSA-N
XLogP4.36
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.69
LogP ≤ 54.36
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

6-(3-bromophenoxy)-N-[2-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 46486838
6-(3-bromophenoxy)-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide
CID 78887929
6-(3-bromophenoxy)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 55699313
6-(3-bromophenoxy)-N-(2-hydroxy-5-methylphenyl)pyridine-3-carboxamide
CID 60562203
6-(3-bromophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 119388966
6-(3-bromophenoxy)-N-[2-(cyclohexanecarbonylamino)ethyl]pyridine-3-carboxamide
CID 55806412
6-(3-bromophenoxy)-N-(3-nitrophenyl)pyridine-3-carboxamide
CID 46458129
6-(3-bromophenoxy)-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 46459917
6-(3-bromophenoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 55706775
6-(3-bromophenoxy)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 46458349
6-(3-bromophenoxy)-N-piperidin-3-ylpyridine-3-carboxamide
CID 119427630
6-(3-bromophenoxy)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 46487926

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenoxy)-N'-(2-chlorobenzoyl)pyridine-3-carbohydrazide?
The IUPAC name of 6-(3-bromophenoxy)-N'-(2-chlorobenzoyl)pyridine-3-carbohydrazide (CID 55706653) is 6-(3-bromophenoxy)-N'-(2-chlorobenzoyl)pyridine-3-carbohydrazide.
What is the SMILES notation for 6-(3-bromophenoxy)-N'-(2-chlorobenzoyl)pyridine-3-carbohydrazide?
The canonical SMILES for 6-(3-bromophenoxy)-N'-(2-chlorobenzoyl)pyridine-3-carbohydrazide is O=C(NNC(=O)c1ccccc1Cl)c1ccc(Oc2cccc(Br)c2)nc1.
What is the InChIKey of 6-(3-bromophenoxy)-N'-(2-chlorobenzoyl)pyridine-3-carbohydrazide?
The InChIKey is WLHZVQSJBWHQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrClN3O3/c20-13-4-3-5-14(10-13)27-17-9-8-12(11-22-17)18(25)23-24-19(26)15-6-1-2-7-16(15)21/h1-11H,(H,23,25)(H,24,26).
What are the key properties of 6-(3-bromophenoxy)-N'-(2-chlorobenzoyl)pyridine-3-carbohydrazide?
6-(3-bromophenoxy)-N'-(2-chlorobenzoyl)pyridine-3-carbohydrazide has a molecular weight of 446.69 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenoxy)-N'-(2-chlorobenzoyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 55706653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).