N'-(6-bromo-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide

C16H10BrN3O4 — CID 1039196

IUPACN'-(6-bromo-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide
SMILESO=C(NNC(=O)c1cc2cc(Br)ccc2oc1=O)c1ccncc1
InChIInChI=1S/C16H10BrN3O4/c17-11-1-2-13-10(7-11)8-12(16(23)24-13)15(22)20-19-14(21)9-3-5-18-6-4-9/h1-8H,(H,19,21)(H,20,22)
InChIKeyJNOVDEPIHIUMFA-UHFFFAOYSA-N
MW388.18 g/mol
LogP2.03
Rot. Bonds2

About N'-(6-bromo-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide

N'-(6-bromo-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide (PubChem CID 1039196) has the molecular formula C16H10BrN3O4 and a molecular weight of 388.18 g/mol. Its IUPAC name is N'-(6-bromo-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(6-bromo-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide
PubChem CID1039196
Molecular FormulaC16H10BrN3O4
Molecular Weight388.18 g/mol
Exact Mass386.99
IUPAC NameN'-(6-bromo-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide
SMILESO=C(NNC(=O)c1cc2cc(Br)ccc2oc1=O)c1ccncc1
InChIInChI=1S/C16H10BrN3O4/c17-11-1-2-13-10(7-11)8-12(16(23)24-13)15(22)20-19-14(21)9-3-5-18-6-4-9/h1-8H,(H,19,21)(H,20,22)
InChIKeyJNOVDEPIHIUMFA-UHFFFAOYSA-N
XLogP2.03
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.18
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N'-(2-chlorobenzoyl)-2-oxochromene-3-carbohydrazide
CID 19133244
6-bromo-N-(4-bromophenyl)-2-oxochromene-3-carboxamide
CID 1111853
5-bromo-2-[(6-bromo-2-oxochromene-3-carbonyl)amino]benzoate
CID 6989800
6-bromo-2-oxo-N-phenylchromene-3-carboxamide
CID 747661
6-bromo-N'-[(2R)-2-(4-bromophenoxy)propanoyl]-2-oxochromene-3-carbohydrazide
CID 1253490
N'-(7-ethoxy-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide
CID 5263160
N'-(2-oxo-7-propoxychromene-3-carbonyl)pyridine-4-carbohydrazide
CID 5263838
6-bromo-N-cycloheptyl-2-oxochromene-3-carboxamide
CID 1246809
6-bromo-N'-[(2S)-2-(2-bromophenoxy)propanoyl]-2-oxochromene-3-carbohydrazide
CID 996207
N'-(2-oxo-8-prop-2-enylchromene-3-carbonyl)pyridine-4-carbohydrazide
CID 785049
6-bromo-2-oxo-N-[1-(oxolan-2-yl)ethyl]chromene-3-carboxamide
CID 6464465
6-bromo-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
CID 2484379

Frequently Asked Questions

What is the IUPAC name of N'-(6-bromo-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide?
The IUPAC name of N'-(6-bromo-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide (CID 1039196) is N'-(6-bromo-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(6-bromo-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide?
The canonical SMILES for N'-(6-bromo-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide is O=C(NNC(=O)c1cc2cc(Br)ccc2oc1=O)c1ccncc1.
What is the InChIKey of N'-(6-bromo-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide?
The InChIKey is JNOVDEPIHIUMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3O4/c17-11-1-2-13-10(7-11)8-12(16(23)24-13)15(22)20-19-14(21)9-3-5-18-6-4-9/h1-8H,(H,19,21)(H,20,22).
What are the key properties of N'-(6-bromo-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide?
N'-(6-bromo-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide has a molecular weight of 388.18 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-bromo-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide is sourced from PubChem (CID 1039196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).