4-chloro-2-phenylpyridine-3-carbohydrazide

C12H10ClN3O — CID 175796737

IUPAC4-chloro-2-phenylpyridine-3-carbohydrazide
SMILESNNC(=O)c1c(Cl)ccnc1-c1ccccc1
InChIInChI=1S/C12H10ClN3O/c13-9-6-7-15-11(10(9)12(17)16-14)8-4-2-1-3-5-8/h1-7H,14H2,(H,16,17)
InChIKeyGXRICQMPZNNQEK-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.01
Rot. Bonds2

About 4-chloro-2-phenylpyridine-3-carbohydrazide

4-chloro-2-phenylpyridine-3-carbohydrazide (PubChem CID 175796737) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 4-chloro-2-phenylpyridine-3-carbohydrazide.

Molecular Properties

Compound Name4-chloro-2-phenylpyridine-3-carbohydrazide
PubChem CID175796737
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name4-chloro-2-phenylpyridine-3-carbohydrazide
SMILESNNC(=O)c1c(Cl)ccnc1-c1ccccc1
InChIInChI=1S/C12H10ClN3O/c13-9-6-7-15-11(10(9)12(17)16-14)8-4-2-1-3-5-8/h1-7H,14H2,(H,16,17)
InChIKeyGXRICQMPZNNQEK-UHFFFAOYSA-N
XLogP2.01
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenylpyridine-3-carbohydrazide?
The IUPAC name of 4-chloro-2-phenylpyridine-3-carbohydrazide (CID 175796737) is 4-chloro-2-phenylpyridine-3-carbohydrazide.
What is the SMILES notation for 4-chloro-2-phenylpyridine-3-carbohydrazide?
The canonical SMILES for 4-chloro-2-phenylpyridine-3-carbohydrazide is NNC(=O)c1c(Cl)ccnc1-c1ccccc1.
What is the InChIKey of 4-chloro-2-phenylpyridine-3-carbohydrazide?
The InChIKey is GXRICQMPZNNQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c13-9-6-7-15-11(10(9)12(17)16-14)8-4-2-1-3-5-8/h1-7H,14H2,(H,16,17).
What are the key properties of 4-chloro-2-phenylpyridine-3-carbohydrazide?
4-chloro-2-phenylpyridine-3-carbohydrazide has a molecular weight of 247.69 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenylpyridine-3-carbohydrazide is sourced from PubChem (CID 175796737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).