2-chloro-4-(4-fluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine

C14H11ClFNO — CID 171576508

IUPAC2-chloro-4-(4-fluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine
SMILESCO/C=C/c1c(-c2ccc(F)cc2)ccnc1Cl
InChIInChI=1S/C14H11ClFNO/c1-18-9-7-13-12(6-8-17-14(13)15)10-2-4-11(16)5-3-10/h2-9H,1H3/b9-7+
InChIKeyDDBQTUDUJDIEBB-VQHVLOKHSA-N
MW263.70 g/mol
LogP4.16
Rot. Bonds3

About 2-chloro-4-(4-fluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine

2-chloro-4-(4-fluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine (PubChem CID 171576508) has the molecular formula C14H11ClFNO and a molecular weight of 263.70 g/mol. Its IUPAC name is 2-chloro-4-(4-fluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-(4-fluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine
PubChem CID171576508
Molecular FormulaC14H11ClFNO
Molecular Weight263.70 g/mol
Exact Mass263.05
IUPAC Name2-chloro-4-(4-fluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine
SMILESCO/C=C/c1c(-c2ccc(F)cc2)ccnc1Cl
InChIInChI=1S/C14H11ClFNO/c1-18-9-7-13-12(6-8-17-14(13)15)10-2-4-11(16)5-3-10/h2-9H,1H3/b9-7+
InChIKeyDDBQTUDUJDIEBB-VQHVLOKHSA-N
XLogP4.16
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 54.16
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-(3,5-difluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine
CID 154589457
2-chloro-4-(4-methoxyphenyl)pyridine-3-carbaldehyde
CID 164894115
2-chloro-4-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 23089929
1-fluoro-4-[(Z)-2-methoxyethenyl]benzene
CID 5370161
4-(2-chloro-3-fluoro-4-pyridinyl)benzaldehyde
CID 164893122
2-chloro-3-(4-fluorophenyl)pyridine-4-carbaldehyde
CID 119011703
2-chloro-4-fluoro-1-[(E)-2-methoxyethenyl]benzene
CID 167530794
3-(4-chlorophenyl)-2-methoxybenzaldehyde;3-(4-fluorophenyl)-2-methoxybenzaldehyde
CID 161042684
4-(4-bromophenyl)-2-fluoro-3-methoxypyridine
CID 163198018
5-chloro-1-ethyl-3-(4-fluorophenyl)-1,6-naphthyridin-4-one
CID 71622207
2-chloro-3-ethenyl-4-fluoropyridine
CID 74891735
[2-chloro-4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methanamine
CID 88879811

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-fluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine?
The IUPAC name of 2-chloro-4-(4-fluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine (CID 171576508) is 2-chloro-4-(4-fluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine.
What is the SMILES notation for 2-chloro-4-(4-fluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine?
The canonical SMILES for 2-chloro-4-(4-fluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine is CO/C=C/c1c(-c2ccc(F)cc2)ccnc1Cl.
What is the InChIKey of 2-chloro-4-(4-fluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine?
The InChIKey is DDBQTUDUJDIEBB-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H11ClFNO/c1-18-9-7-13-12(6-8-17-14(13)15)10-2-4-11(16)5-3-10/h2-9H,1H3/b9-7+.
What are the key properties of 2-chloro-4-(4-fluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine?
2-chloro-4-(4-fluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine has a molecular weight of 263.70 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-fluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine is sourced from PubChem (CID 171576508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).