N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]pyridine-4-carbohydrazide

C15H12ClN3O2 — CID 965557

IUPACN'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]pyridine-4-carbohydrazide
SMILESO=C(/C=C/c1ccccc1Cl)NNC(=O)c1ccncc1
InChIInChI=1S/C15H12ClN3O2/c16-13-4-2-1-3-11(13)5-6-14(20)18-19-15(21)12-7-9-17-10-8-12/h1-10H,(H,18,20)(H,19,21)/b6-5+
InChIKeyZSHPNFVVUOHQGZ-AATRIKPKSA-N
MW301.73 g/mol
LogP2.21
Rot. Bonds3

About N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]pyridine-4-carbohydrazide

N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]pyridine-4-carbohydrazide (PubChem CID 965557) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]pyridine-4-carbohydrazide
PubChem CID965557
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC NameN'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]pyridine-4-carbohydrazide
SMILESO=C(/C=C/c1ccccc1Cl)NNC(=O)c1ccncc1
InChIInChI=1S/C15H12ClN3O2/c16-13-4-2-1-3-11(13)5-6-14(20)18-19-15(21)12-7-9-17-10-8-12/h1-10H,(H,18,20)(H,19,21)/b6-5+
InChIKeyZSHPNFVVUOHQGZ-AATRIKPKSA-N
XLogP2.21
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]pyridine-4-carbohydrazide (CID 965557) is N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]pyridine-4-carbohydrazide is O=C(/C=C/c1ccccc1Cl)NNC(=O)c1ccncc1.
What is the InChIKey of N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]pyridine-4-carbohydrazide?
The InChIKey is ZSHPNFVVUOHQGZ-AATRIKPKSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c16-13-4-2-1-3-11(13)5-6-14(20)18-19-15(21)12-7-9-17-10-8-12/h1-10H,(H,18,20)(H,19,21)/b6-5+.
What are the key properties of N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]pyridine-4-carbohydrazide?
N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]pyridine-4-carbohydrazide has a molecular weight of 301.73 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]pyridine-4-carbohydrazide is sourced from PubChem (CID 965557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).