3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enyl-2H-pyridine

C16H16ClF2NO — CID 69063978

IUPAC3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enyl-2H-pyridine
SMILESC=CCN1CC(Cl)=C(OCc2ccc(F)cc2F)C=C1C
InChIInChI=1S/C16H16ClF2NO/c1-3-6-20-9-14(17)16(7-11(20)2)21-10-12-4-5-13(18)8-15(12)19/h3-5,7-8H,1,6,9-10H2,2H3
InChIKeyAIQMQAKWNIUHAJ-UHFFFAOYSA-N
MW311.76 g/mol
LogP4.34
Rot. Bonds5

About 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enyl-2H-pyridine

3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enyl-2H-pyridine (PubChem CID 69063978) has the molecular formula C16H16ClF2NO and a molecular weight of 311.76 g/mol. Its IUPAC name is 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enyl-2H-pyridine.

Molecular Properties

Compound Name3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enyl-2H-pyridine
PubChem CID69063978
Molecular FormulaC16H16ClF2NO
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enyl-2H-pyridine
SMILESC=CCN1CC(Cl)=C(OCc2ccc(F)cc2F)C=C1C
InChIInChI=1S/C16H16ClF2NO/c1-3-6-20-9-14(17)16(7-11(20)2)21-10-12-4-5-13(18)8-15(12)19/h3-5,7-8H,1,6,9-10H2,2H3
InChIKeyAIQMQAKWNIUHAJ-UHFFFAOYSA-N
XLogP4.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enyl-2H-pyridine?
The IUPAC name of 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enyl-2H-pyridine (CID 69063978) is 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enyl-2H-pyridine.
What is the SMILES notation for 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enyl-2H-pyridine?
The canonical SMILES for 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enyl-2H-pyridine is C=CCN1CC(Cl)=C(OCc2ccc(F)cc2F)C=C1C.
What is the InChIKey of 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enyl-2H-pyridine?
The InChIKey is AIQMQAKWNIUHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2NO/c1-3-6-20-9-14(17)16(7-11(20)2)21-10-12-4-5-13(18)8-15(12)19/h3-5,7-8H,1,6,9-10H2,2H3.
What are the key properties of 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enyl-2H-pyridine?
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enyl-2H-pyridine has a molecular weight of 311.76 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enyl-2H-pyridine is sourced from PubChem (CID 69063978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).