2-chloro-5-[(1S,2S,3S)-2-(2-fluorophenyl)-3-methylcyclopropyl]pyridine

C15H13ClFN — CID 130438078

IUPAC2-chloro-5-[(1S,2S,3S)-2-(2-fluorophenyl)-3-methylcyclopropyl]pyridine
SMILESC[C@H]1[C@H](c2ccc(Cl)nc2)[C@H]1c1ccccc1F
InChIInChI=1S/C15H13ClFN/c1-9-14(10-6-7-13(16)18-8-10)15(9)11-4-2-3-5-12(11)17/h2-9,14-15H,1H3/t9-,14+,15+/m0/s1
InChIKeyJKUWRLCBKCMQCA-TZTCFGBESA-N
MW261.73 g/mol
LogP4.39
Rot. Bonds2

About 2-chloro-5-[(1S,2S,3S)-2-(2-fluorophenyl)-3-methylcyclopropyl]pyridine

2-chloro-5-[(1S,2S,3S)-2-(2-fluorophenyl)-3-methylcyclopropyl]pyridine (PubChem CID 130438078) has the molecular formula C15H13ClFN and a molecular weight of 261.73 g/mol. Its IUPAC name is 2-chloro-5-[(1S,2S,3S)-2-(2-fluorophenyl)-3-methylcyclopropyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[(1S,2S,3S)-2-(2-fluorophenyl)-3-methylcyclopropyl]pyridine
PubChem CID130438078
Molecular FormulaC15H13ClFN
Molecular Weight261.73 g/mol
Exact Mass261.07
IUPAC Name2-chloro-5-[(1S,2S,3S)-2-(2-fluorophenyl)-3-methylcyclopropyl]pyridine
SMILESC[C@H]1[C@H](c2ccc(Cl)nc2)[C@H]1c1ccccc1F
InChIInChI=1S/C15H13ClFN/c1-9-14(10-6-7-13(16)18-8-10)15(9)11-4-2-3-5-12(11)17/h2-9,14-15H,1H3/t9-,14+,15+/m0/s1
InChIKeyJKUWRLCBKCMQCA-TZTCFGBESA-N
XLogP4.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(1S,2S,3S)-2-(2-fluorophenyl)-3-methylcyclopropyl]pyridine?
The IUPAC name of 2-chloro-5-[(1S,2S,3S)-2-(2-fluorophenyl)-3-methylcyclopropyl]pyridine (CID 130438078) is 2-chloro-5-[(1S,2S,3S)-2-(2-fluorophenyl)-3-methylcyclopropyl]pyridine.
What is the SMILES notation for 2-chloro-5-[(1S,2S,3S)-2-(2-fluorophenyl)-3-methylcyclopropyl]pyridine?
The canonical SMILES for 2-chloro-5-[(1S,2S,3S)-2-(2-fluorophenyl)-3-methylcyclopropyl]pyridine is C[C@H]1[C@H](c2ccc(Cl)nc2)[C@H]1c1ccccc1F.
What is the InChIKey of 2-chloro-5-[(1S,2S,3S)-2-(2-fluorophenyl)-3-methylcyclopropyl]pyridine?
The InChIKey is JKUWRLCBKCMQCA-TZTCFGBESA-N. The full InChI is InChI=1S/C15H13ClFN/c1-9-14(10-6-7-13(16)18-8-10)15(9)11-4-2-3-5-12(11)17/h2-9,14-15H,1H3/t9-,14+,15+/m0/s1.
What are the key properties of 2-chloro-5-[(1S,2S,3S)-2-(2-fluorophenyl)-3-methylcyclopropyl]pyridine?
2-chloro-5-[(1S,2S,3S)-2-(2-fluorophenyl)-3-methylcyclopropyl]pyridine has a molecular weight of 261.73 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(1S,2S,3S)-2-(2-fluorophenyl)-3-methylcyclopropyl]pyridine is sourced from PubChem (CID 130438078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).