6-[(3-chloro-4-cyanophenoxy)methyl]pyridine-3-carbohydrazide

C14H11ClN4O2 — CID 102724820

IUPAC6-[(3-chloro-4-cyanophenoxy)methyl]pyridine-3-carbohydrazide
SMILESN#Cc1ccc(OCc2ccc(C(=O)NN)cn2)cc1Cl
InChIInChI=1S/C14H11ClN4O2/c15-13-5-12(4-2-9(13)6-16)21-8-11-3-1-10(7-18-11)14(20)19-17/h1-5,7H,8,17H2,(H,19,20)
InChIKeyIISSQMLRQMMSGE-UHFFFAOYSA-N
MW302.72 g/mol
LogP1.79
Rot. Bonds4

About 6-[(3-chloro-4-cyanophenoxy)methyl]pyridine-3-carbohydrazide

6-[(3-chloro-4-cyanophenoxy)methyl]pyridine-3-carbohydrazide (PubChem CID 102724820) has the molecular formula C14H11ClN4O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is 6-[(3-chloro-4-cyanophenoxy)methyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name6-[(3-chloro-4-cyanophenoxy)methyl]pyridine-3-carbohydrazide
PubChem CID102724820
Molecular FormulaC14H11ClN4O2
Molecular Weight302.72 g/mol
Exact Mass302.06
IUPAC Name6-[(3-chloro-4-cyanophenoxy)methyl]pyridine-3-carbohydrazide
SMILESN#Cc1ccc(OCc2ccc(C(=O)NN)cn2)cc1Cl
InChIInChI=1S/C14H11ClN4O2/c15-13-5-12(4-2-9(13)6-16)21-8-11-3-1-10(7-18-11)14(20)19-17/h1-5,7H,8,17H2,(H,19,20)
InChIKeyIISSQMLRQMMSGE-UHFFFAOYSA-N
XLogP1.79
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-chloro-4-cyanophenoxy)methyl]thiophene-2-carbohydrazide
CID 102724829
4-[(3-chloro-4-cyanophenoxy)methyl]-5-methylfuran-2-carbohydrazide
CID 102724819
5-[(3-chloro-4-cyanophenoxy)methyl]-2-methylfuran-3-carbohydrazide
CID 102724830
2-chloro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile
CID 102724111
2-[2-[(3-chloro-4-cyanophenoxy)methyl]phenyl]acetic acid
CID 102723934
4-[(4-aminophenyl)methoxy]-2-chlorobenzonitrile
CID 62945870
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-methylpyridine-3-carboxamide;ethane
CID 142409450
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[methyl(propyl)amino]pyridine-3-carboxamide
CID 135296462
2-chloro-4-[(4-chlorophenyl)methoxy]benzonitrile
CID 65126447
2-chloro-4-(2-hydroxyethoxy)benzonitrile
CID 62948337
3-[(3,4-dichlorophenoxy)methyl]benzohydrazide
CID 63575567
2-chloro-4-[2-(4-methoxyphenyl)-2-oxoethoxy]benzonitrile
CID 102674505

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-4-cyanophenoxy)methyl]pyridine-3-carbohydrazide?
The IUPAC name of 6-[(3-chloro-4-cyanophenoxy)methyl]pyridine-3-carbohydrazide (CID 102724820) is 6-[(3-chloro-4-cyanophenoxy)methyl]pyridine-3-carbohydrazide.
What is the SMILES notation for 6-[(3-chloro-4-cyanophenoxy)methyl]pyridine-3-carbohydrazide?
The canonical SMILES for 6-[(3-chloro-4-cyanophenoxy)methyl]pyridine-3-carbohydrazide is N#Cc1ccc(OCc2ccc(C(=O)NN)cn2)cc1Cl.
What is the InChIKey of 6-[(3-chloro-4-cyanophenoxy)methyl]pyridine-3-carbohydrazide?
The InChIKey is IISSQMLRQMMSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2/c15-13-5-12(4-2-9(13)6-16)21-8-11-3-1-10(7-18-11)14(20)19-17/h1-5,7H,8,17H2,(H,19,20).
What are the key properties of 6-[(3-chloro-4-cyanophenoxy)methyl]pyridine-3-carbohydrazide?
6-[(3-chloro-4-cyanophenoxy)methyl]pyridine-3-carbohydrazide has a molecular weight of 302.72 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chloro-4-cyanophenoxy)methyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 102724820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).