2-chloro-4-(4-cyclopropylpiperidin-1-yl)-5-fluoropyridine

C13H16ClFN2 — CID 118008332

IUPAC2-chloro-4-(4-cyclopropylpiperidin-1-yl)-5-fluoropyridine
SMILESFc1cnc(Cl)cc1N1CCC(C2CC2)CC1
InChIInChI=1S/C13H16ClFN2/c14-13-7-12(11(15)8-16-13)17-5-3-10(4-6-17)9-1-2-9/h7-10H,1-6H2
InChIKeyLIHZVRFSZAIUAP-UHFFFAOYSA-N
MW254.74 g/mol
LogP3.50
Rot. Bonds2

About 2-chloro-4-(4-cyclopropylpiperidin-1-yl)-5-fluoropyridine

2-chloro-4-(4-cyclopropylpiperidin-1-yl)-5-fluoropyridine (PubChem CID 118008332) has the molecular formula C13H16ClFN2 and a molecular weight of 254.74 g/mol. Its IUPAC name is 2-chloro-4-(4-cyclopropylpiperidin-1-yl)-5-fluoropyridine.

Molecular Properties

Compound Name2-chloro-4-(4-cyclopropylpiperidin-1-yl)-5-fluoropyridine
PubChem CID118008332
Molecular FormulaC13H16ClFN2
Molecular Weight254.74 g/mol
Exact Mass254.10
IUPAC Name2-chloro-4-(4-cyclopropylpiperidin-1-yl)-5-fluoropyridine
SMILESFc1cnc(Cl)cc1N1CCC(C2CC2)CC1
InChIInChI=1S/C13H16ClFN2/c14-13-7-12(11(15)8-16-13)17-5-3-10(4-6-17)9-1-2-9/h7-10H,1-6H2
InChIKeyLIHZVRFSZAIUAP-UHFFFAOYSA-N
XLogP3.50
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-4-(4-cyclopropylpiperidin-1-yl)-5-fluoropyridine?
The IUPAC name of 2-chloro-4-(4-cyclopropylpiperidin-1-yl)-5-fluoropyridine (CID 118008332) is 2-chloro-4-(4-cyclopropylpiperidin-1-yl)-5-fluoropyridine.
What is the SMILES notation for 2-chloro-4-(4-cyclopropylpiperidin-1-yl)-5-fluoropyridine?
The canonical SMILES for 2-chloro-4-(4-cyclopropylpiperidin-1-yl)-5-fluoropyridine is Fc1cnc(Cl)cc1N1CCC(C2CC2)CC1.
What is the InChIKey of 2-chloro-4-(4-cyclopropylpiperidin-1-yl)-5-fluoropyridine?
The InChIKey is LIHZVRFSZAIUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2/c14-13-7-12(11(15)8-16-13)17-5-3-10(4-6-17)9-1-2-9/h7-10H,1-6H2.
What are the key properties of 2-chloro-4-(4-cyclopropylpiperidin-1-yl)-5-fluoropyridine?
2-chloro-4-(4-cyclopropylpiperidin-1-yl)-5-fluoropyridine has a molecular weight of 254.74 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-cyclopropylpiperidin-1-yl)-5-fluoropyridine is sourced from PubChem (CID 118008332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).