2-chloro-4-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine

C10H10ClF3N2 — CID 118007915

IUPAC2-chloro-4-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine
SMILESFc1cnc(Cl)cc1N1CCC(F)(F)CC1
InChIInChI=1S/C10H10ClF3N2/c11-9-5-8(7(12)6-15-9)16-3-1-10(13,14)2-4-16/h5-6H,1-4H2
InChIKeyLKTVTXFIAPWJLG-UHFFFAOYSA-N
MW250.65 g/mol
LogP3.11
Rot. Bonds1

About 2-chloro-4-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine

2-chloro-4-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine (PubChem CID 118007915) has the molecular formula C10H10ClF3N2 and a molecular weight of 250.65 g/mol. Its IUPAC name is 2-chloro-4-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine.

Molecular Properties

Compound Name2-chloro-4-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine
PubChem CID118007915
Molecular FormulaC10H10ClF3N2
Molecular Weight250.65 g/mol
Exact Mass250.05
IUPAC Name2-chloro-4-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine
SMILESFc1cnc(Cl)cc1N1CCC(F)(F)CC1
InChIInChI=1S/C10H10ClF3N2/c11-9-5-8(7(12)6-15-9)16-3-1-10(13,14)2-4-16/h5-6H,1-4H2
InChIKeyLKTVTXFIAPWJLG-UHFFFAOYSA-N
XLogP3.11
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.65
LogP ≤ 53.11
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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Related Compounds

3-Chloropyridin-4-amine
CID 581853
1-(3-Chloropyridin-4-yl)piperazine
CID 11651319
2-Chloropyridin-4-amine
CID 84432
1-(3,5-Dichloropyridin-4-yl)piperazine
CID 2799984
6-Chloropyridine-3,4-diamine
CID 817133
2-Chloro-5-(piperidin-1-ylmethyl)pyridine
CID 1473525
4-Piperidinopyridine
CID 76002
2-Chloro-4-fluoropyridine
CID 2782792
4-Chloro-2,5-difluoropyridine
CID 11147812
2-Chloro-5-iodopyridin-4-amine
CID 45480366
2-Chloro-3-fluoropyridin-4-amine
CID 60150289
4-Chloro-2-(trifluoromethyl)pyridine
CID 14761442

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine?
The IUPAC name of 2-chloro-4-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine (CID 118007915) is 2-chloro-4-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine.
What is the SMILES notation for 2-chloro-4-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine?
The canonical SMILES for 2-chloro-4-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine is Fc1cnc(Cl)cc1N1CCC(F)(F)CC1.
What is the InChIKey of 2-chloro-4-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine?
The InChIKey is LKTVTXFIAPWJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2/c11-9-5-8(7(12)6-15-9)16-3-1-10(13,14)2-4-16/h5-6H,1-4H2.
What are the key properties of 2-chloro-4-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine?
2-chloro-4-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine has a molecular weight of 250.65 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine is sourced from PubChem (CID 118007915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).