2-chloro-4-(3,5-difluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine

C14H10ClF2NO — CID 154589457

IUPAC2-chloro-4-(3,5-difluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine
SMILESCO/C=C/c1c(-c2cc(F)cc(F)c2)ccnc1Cl
InChIInChI=1S/C14H10ClF2NO/c1-19-5-3-13-12(2-4-18-14(13)15)9-6-10(16)8-11(17)7-9/h2-8H,1H3/b5-3+
InChIKeyASZUVKCOXXFPDM-HWKANZROSA-N
MW281.69 g/mol
LogP4.30
Rot. Bonds3

About 2-chloro-4-(3,5-difluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine

2-chloro-4-(3,5-difluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine (PubChem CID 154589457) has the molecular formula C14H10ClF2NO and a molecular weight of 281.69 g/mol. Its IUPAC name is 2-chloro-4-(3,5-difluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-(3,5-difluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine
PubChem CID154589457
Molecular FormulaC14H10ClF2NO
Molecular Weight281.69 g/mol
Exact Mass281.04
IUPAC Name2-chloro-4-(3,5-difluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine
SMILESCO/C=C/c1c(-c2cc(F)cc(F)c2)ccnc1Cl
InChIInChI=1S/C14H10ClF2NO/c1-19-5-3-13-12(2-4-18-14(13)15)9-6-10(16)8-11(17)7-9/h2-8H,1H3/b5-3+
InChIKeyASZUVKCOXXFPDM-HWKANZROSA-N
XLogP4.30
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.69
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(4-fluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine
CID 171576508
2-chloro-4-(3,5-difluorophenyl)pyridin-3-amine
CID 96591103
2,3-dichloro-4-[2-chloro-3-(3-fluoro-5-methoxyphenyl)phenyl]pyridine
CID 175512944
2-chloro-4-(4-methoxyphenyl)pyridine-3-carbaldehyde
CID 164894115
2-chloro-4-fluoro-1-[(E)-2-methoxyethenyl]benzene
CID 167530794
4-(3,5-difluorophenyl)pyridine-2,3-diamine
CID 70922932
4-(3,5-dichlorophenyl)-3-fluoro-2-methoxypyridine
CID 133090712
2,6-dichloro-3-(3,5-difluorophenyl)benzaldehyde
CID 82107221
2-chloro-3-methoxy-4-[3-(trifluoromethyl)phenyl]pyridine
CID 118997181
1-fluoro-4-[(Z)-2-methoxyethenyl]benzene
CID 5370161
2-chloro-3-(3-fluoro-5-methylphenyl)pyrazine
CID 79691462
2-chloro-3-ethenyl-4-fluoropyridine
CID 74891735

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,5-difluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine?
The IUPAC name of 2-chloro-4-(3,5-difluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine (CID 154589457) is 2-chloro-4-(3,5-difluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine.
What is the SMILES notation for 2-chloro-4-(3,5-difluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine?
The canonical SMILES for 2-chloro-4-(3,5-difluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine is CO/C=C/c1c(-c2cc(F)cc(F)c2)ccnc1Cl.
What is the InChIKey of 2-chloro-4-(3,5-difluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine?
The InChIKey is ASZUVKCOXXFPDM-HWKANZROSA-N. The full InChI is InChI=1S/C14H10ClF2NO/c1-19-5-3-13-12(2-4-18-14(13)15)9-6-10(16)8-11(17)7-9/h2-8H,1H3/b5-3+.
What are the key properties of 2-chloro-4-(3,5-difluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine?
2-chloro-4-(3,5-difluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine has a molecular weight of 281.69 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,5-difluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine is sourced from PubChem (CID 154589457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).