methyl 5-chloro-6-methanehydrazonoyl-2-phenylpyridine-3-carboxylate

C14H12ClN3O2 — CID 129097541

IUPACmethyl 5-chloro-6-methanehydrazonoyl-2-phenylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cl)c(C=NN)nc1-c1ccccc1
InChIInChI=1S/C14H12ClN3O2/c1-20-14(19)10-7-11(15)12(8-17-16)18-13(10)9-5-3-2-4-6-9/h2-8H,16H2,1H3
InChIKeyLVVCDLCIORZMQJ-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.48
Rot. Bonds3

About methyl 5-chloro-6-methanehydrazonoyl-2-phenylpyridine-3-carboxylate

methyl 5-chloro-6-methanehydrazonoyl-2-phenylpyridine-3-carboxylate (PubChem CID 129097541) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is methyl 5-chloro-6-methanehydrazonoyl-2-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-6-methanehydrazonoyl-2-phenylpyridine-3-carboxylate
PubChem CID129097541
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Namemethyl 5-chloro-6-methanehydrazonoyl-2-phenylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cl)c(C=NN)nc1-c1ccccc1
InChIInChI=1S/C14H12ClN3O2/c1-20-14(19)10-7-11(15)12(8-17-16)18-13(10)9-5-3-2-4-6-9/h2-8H,16H2,1H3
InChIKeyLVVCDLCIORZMQJ-UHFFFAOYSA-N
XLogP2.48
TPSA77.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_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 methyl 5-chloro-6-methanehydrazonoyl-2-phenylpyridine-3-carboxylate?
The IUPAC name of methyl 5-chloro-6-methanehydrazonoyl-2-phenylpyridine-3-carboxylate (CID 129097541) is methyl 5-chloro-6-methanehydrazonoyl-2-phenylpyridine-3-carboxylate.
What is the SMILES notation for methyl 5-chloro-6-methanehydrazonoyl-2-phenylpyridine-3-carboxylate?
The canonical SMILES for methyl 5-chloro-6-methanehydrazonoyl-2-phenylpyridine-3-carboxylate is COC(=O)c1cc(Cl)c(C=NN)nc1-c1ccccc1.
What is the InChIKey of methyl 5-chloro-6-methanehydrazonoyl-2-phenylpyridine-3-carboxylate?
The InChIKey is LVVCDLCIORZMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-20-14(19)10-7-11(15)12(8-17-16)18-13(10)9-5-3-2-4-6-9/h2-8H,16H2,1H3.
What are the key properties of methyl 5-chloro-6-methanehydrazonoyl-2-phenylpyridine-3-carboxylate?
methyl 5-chloro-6-methanehydrazonoyl-2-phenylpyridine-3-carboxylate has a molecular weight of 289.72 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-6-methanehydrazonoyl-2-phenylpyridine-3-carboxylate is sourced from PubChem (CID 129097541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).