N'-(4-chloro-2-iodobenzoyl)pyridine-3-carbohydrazide

C13H9ClIN3O2 — CID 39716932

IUPACN'-(4-chloro-2-iodobenzoyl)pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(Cl)cc1I)c1cccnc1
InChIInChI=1S/C13H9ClIN3O2/c14-9-3-4-10(11(15)6-9)13(20)18-17-12(19)8-2-1-5-16-7-8/h1-7H,(H,17,19)(H,18,20)
InChIKeyMXINCSROAQKKEV-UHFFFAOYSA-N
MW401.59 g/mol
LogP2.41
Rot. Bonds2

About N'-(4-chloro-2-iodobenzoyl)pyridine-3-carbohydrazide

N'-(4-chloro-2-iodobenzoyl)pyridine-3-carbohydrazide (PubChem CID 39716932) has the molecular formula C13H9ClIN3O2 and a molecular weight of 401.59 g/mol. Its IUPAC name is N'-(4-chloro-2-iodobenzoyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chloro-2-iodobenzoyl)pyridine-3-carbohydrazide
PubChem CID39716932
Molecular FormulaC13H9ClIN3O2
Molecular Weight401.59 g/mol
Exact Mass400.94
IUPAC NameN'-(4-chloro-2-iodobenzoyl)pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(Cl)cc1I)c1cccnc1
InChIInChI=1S/C13H9ClIN3O2/c14-9-3-4-10(11(15)6-9)13(20)18-17-12(19)8-2-1-5-16-7-8/h1-7H,(H,17,19)(H,18,20)
InChIKeyMXINCSROAQKKEV-UHFFFAOYSA-N
XLogP2.41
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.59
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(pyridine-3-carbonylamino)benzoic acid
CID 16772480
N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]pyridine-3-carbohydrazide
CID 36841106
N'-(4-iodobenzoyl)pyridine-3-carbohydrazide
CID 19166393
N'-(2-iodo-5-nitrobenzoyl)pyridine-3-carbohydrazide
CID 15547621
N'-(2,4,6-trichlorophenyl)pyridine-3-carbohydrazide
CID 47099649
N-(2,4-dichlorophenyl)-4-oxo-4-[2-(pyridine-3-carbonyl)hydrazinyl]butanamide
CID 4922776
1-(4-chloro-2-methylphenyl)-3-(pyridine-3-carbonylamino)thiourea
CID 1490574
N'-(4-chloro-2-iodobenzoyl)-3,4-dimethoxybenzohydrazide
CID 39714334
5-chloro-2-iodo-N-pyridin-3-ylbenzamide
CID 47188812
N'-(4-chloro-2-iodobenzoyl)-1,3-benzodioxole-5-carbohydrazide
CID 39714374
N'-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]pyridine-3-carbohydrazide
CID 29205060
4-chloro-2-(pyridine-3-carbonyl)benzamide
CID 68547822

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-iodobenzoyl)pyridine-3-carbohydrazide?
The IUPAC name of N'-(4-chloro-2-iodobenzoyl)pyridine-3-carbohydrazide (CID 39716932) is N'-(4-chloro-2-iodobenzoyl)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(4-chloro-2-iodobenzoyl)pyridine-3-carbohydrazide?
The canonical SMILES for N'-(4-chloro-2-iodobenzoyl)pyridine-3-carbohydrazide is O=C(NNC(=O)c1ccc(Cl)cc1I)c1cccnc1.
What is the InChIKey of N'-(4-chloro-2-iodobenzoyl)pyridine-3-carbohydrazide?
The InChIKey is MXINCSROAQKKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClIN3O2/c14-9-3-4-10(11(15)6-9)13(20)18-17-12(19)8-2-1-5-16-7-8/h1-7H,(H,17,19)(H,18,20).
What are the key properties of N'-(4-chloro-2-iodobenzoyl)pyridine-3-carbohydrazide?
N'-(4-chloro-2-iodobenzoyl)pyridine-3-carbohydrazide has a molecular weight of 401.59 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-iodobenzoyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 39716932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).