3,5-dichloro-2,6-dimethyl-4-(3-phenylprop-2-ynoxy)pyridine

C16H13Cl2NO — CID 134066957

IUPAC3,5-dichloro-2,6-dimethyl-4-(3-phenylprop-2-ynoxy)pyridine
SMILESCc1nc(C)c(Cl)c(OCC#Cc2ccccc2)c1Cl
InChIInChI=1S/C16H13Cl2NO/c1-11-14(17)16(15(18)12(2)19-11)20-10-6-9-13-7-4-3-5-8-13/h3-5,7-8H,10H2,1-2H3
InChIKeySBZQUKGRNLLLCL-UHFFFAOYSA-N
MW306.19 g/mol
LogP4.44
Rot. Bonds2

About 3,5-dichloro-2,6-dimethyl-4-(3-phenylprop-2-ynoxy)pyridine

3,5-dichloro-2,6-dimethyl-4-(3-phenylprop-2-ynoxy)pyridine (PubChem CID 134066957) has the molecular formula C16H13Cl2NO and a molecular weight of 306.19 g/mol. Its IUPAC name is 3,5-dichloro-2,6-dimethyl-4-(3-phenylprop-2-ynoxy)pyridine.

Molecular Properties

Compound Name3,5-dichloro-2,6-dimethyl-4-(3-phenylprop-2-ynoxy)pyridine
PubChem CID134066957
Molecular FormulaC16H13Cl2NO
Molecular Weight306.19 g/mol
Exact Mass305.04
IUPAC Name3,5-dichloro-2,6-dimethyl-4-(3-phenylprop-2-ynoxy)pyridine
SMILESCc1nc(C)c(Cl)c(OCC#Cc2ccccc2)c1Cl
InChIInChI=1S/C16H13Cl2NO/c1-11-14(17)16(15(18)12(2)19-11)20-10-6-9-13-7-4-3-5-8-13/h3-5,7-8H,10H2,1-2H3
InChIKeySBZQUKGRNLLLCL-UHFFFAOYSA-N
XLogP4.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-1-phenylethanone
CID 134064664
1-chloro-3-(3-phenylprop-2-ynoxy)benzene
CID 64763813
2-methyl-3-(3-phenylprop-2-ynoxy)phenol
CID 62339193
3,5-dichloro-4-[(2-fluorophenyl)methoxy]-2,6-dimethylpyridine
CID 134064703
1-chloro-4-[3-[2-(2-phenylethynyl)phenoxy]prop-1-ynyl]benzene
CID 72724381
1-(3-phenoxyprop-1-ynyl)-4-propan-2-ylbenzene
CID 58591685
1-ethyl-2-(3-phenylprop-2-ynoxy)benzene
CID 64765483
1-[6-methyl-3-(3-phenylprop-2-ynoxy)-2-pyridinyl]propan-2-amine
CID 79164896
1-(3-phenylprop-2-ynoxy)-4-phenylsulfanylbenzene
CID 13313469
3-chloro-4-(3-phenylprop-2-ynoxy)benzonitrile
CID 62341231
4,9-dimethoxy-1-phenyl-3-(3-phenylprop-2-ynoxy)benzo[f]indazole
CID 163283722
1-[4-(3-phenylprop-2-ynoxy)phenyl]ethanamine
CID 62340342

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2,6-dimethyl-4-(3-phenylprop-2-ynoxy)pyridine?
The IUPAC name of 3,5-dichloro-2,6-dimethyl-4-(3-phenylprop-2-ynoxy)pyridine (CID 134066957) is 3,5-dichloro-2,6-dimethyl-4-(3-phenylprop-2-ynoxy)pyridine.
What is the SMILES notation for 3,5-dichloro-2,6-dimethyl-4-(3-phenylprop-2-ynoxy)pyridine?
The canonical SMILES for 3,5-dichloro-2,6-dimethyl-4-(3-phenylprop-2-ynoxy)pyridine is Cc1nc(C)c(Cl)c(OCC#Cc2ccccc2)c1Cl.
What is the InChIKey of 3,5-dichloro-2,6-dimethyl-4-(3-phenylprop-2-ynoxy)pyridine?
The InChIKey is SBZQUKGRNLLLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO/c1-11-14(17)16(15(18)12(2)19-11)20-10-6-9-13-7-4-3-5-8-13/h3-5,7-8H,10H2,1-2H3.
What are the key properties of 3,5-dichloro-2,6-dimethyl-4-(3-phenylprop-2-ynoxy)pyridine?
3,5-dichloro-2,6-dimethyl-4-(3-phenylprop-2-ynoxy)pyridine has a molecular weight of 306.19 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2,6-dimethyl-4-(3-phenylprop-2-ynoxy)pyridine is sourced from PubChem (CID 134066957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).