3-chloro-5-(1-methoxyethenyl)-6-phenylpyridine-2-carbaldehyde

C15H12ClNO2 — CID 129127907

IUPAC3-chloro-5-(1-methoxyethenyl)-6-phenylpyridine-2-carbaldehyde
SMILESC=C(OC)c1cc(Cl)c(C=O)nc1-c1ccccc1
InChIInChI=1S/C15H12ClNO2/c1-10(19-2)12-8-13(16)14(9-18)17-15(12)11-6-4-3-5-7-11/h3-9H,1H2,2H3
InChIKeyNJHKCCAAYVHOTJ-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.83
Rot. Bonds4

About 3-chloro-5-(1-methoxyethenyl)-6-phenylpyridine-2-carbaldehyde

3-chloro-5-(1-methoxyethenyl)-6-phenylpyridine-2-carbaldehyde (PubChem CID 129127907) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 3-chloro-5-(1-methoxyethenyl)-6-phenylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-chloro-5-(1-methoxyethenyl)-6-phenylpyridine-2-carbaldehyde
PubChem CID129127907
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name3-chloro-5-(1-methoxyethenyl)-6-phenylpyridine-2-carbaldehyde
SMILESC=C(OC)c1cc(Cl)c(C=O)nc1-c1ccccc1
InChIInChI=1S/C15H12ClNO2/c1-10(19-2)12-8-13(16)14(9-18)17-15(12)11-6-4-3-5-7-11/h3-9H,1H2,2H3
InChIKeyNJHKCCAAYVHOTJ-UHFFFAOYSA-N
XLogP3.83
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 5-chloro-6-[(Z)-hydrazinylidenemethyl]-2-phenylpyridine-3-carboxylate
CID 129097540
methyl 5-chloro-6-methanehydrazonoyl-2-phenylpyridine-3-carboxylate
CID 129097541
methyl 5-chloro-6-cyano-2-phenylpyridine-3-carboxylate
CID 129097942
5-(1-methoxyethenyl)-4-methyl-2-phenylpyridine
CID 177154031
methyl 2-[(2-chloro-5-methyl-6-phenyl-3-pyridinyl)oxymethyl]prop-2-enoate
CID 87445343
6-methoxy-2-phenylquinoline-3-carbaldehyde
CID 833679
8-chloro-2-phenylquinoline-3-carbaldehyde
CID 86701166
5-ethenyl-2-(2-phenylphenyl)-6-prop-1-en-2-ylpyridine-3-carbaldehyde
CID 145483379
1-[2-(1-methoxyethenyl)phenyl]ethanone
CID 121440840
1,2-dichlorobenzene;methyl formate
CID 162103259
methyl 2-amino-4-phenylpyrimidine-5-carboxylate
CID 15398885
methyl 3-amino-6-chloro-5-phenylpyrazine-2-carboxylate
CID 58870301

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(1-methoxyethenyl)-6-phenylpyridine-2-carbaldehyde?
The IUPAC name of 3-chloro-5-(1-methoxyethenyl)-6-phenylpyridine-2-carbaldehyde (CID 129127907) is 3-chloro-5-(1-methoxyethenyl)-6-phenylpyridine-2-carbaldehyde.
What is the SMILES notation for 3-chloro-5-(1-methoxyethenyl)-6-phenylpyridine-2-carbaldehyde?
The canonical SMILES for 3-chloro-5-(1-methoxyethenyl)-6-phenylpyridine-2-carbaldehyde is C=C(OC)c1cc(Cl)c(C=O)nc1-c1ccccc1.
What is the InChIKey of 3-chloro-5-(1-methoxyethenyl)-6-phenylpyridine-2-carbaldehyde?
The InChIKey is NJHKCCAAYVHOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c1-10(19-2)12-8-13(16)14(9-18)17-15(12)11-6-4-3-5-7-11/h3-9H,1H2,2H3.
What are the key properties of 3-chloro-5-(1-methoxyethenyl)-6-phenylpyridine-2-carbaldehyde?
3-chloro-5-(1-methoxyethenyl)-6-phenylpyridine-2-carbaldehyde has a molecular weight of 273.72 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(1-methoxyethenyl)-6-phenylpyridine-2-carbaldehyde is sourced from PubChem (CID 129127907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).