2-chloro-4-(4-fluoropiperidin-1-yl)-5-iodopyridine

C10H11ClFIN2 — CID 167427059

IUPAC2-chloro-4-(4-fluoropiperidin-1-yl)-5-iodopyridine
SMILESFC1CCN(c2cc(Cl)ncc2I)CC1
InChIInChI=1S/C10H11ClFIN2/c11-10-5-9(8(13)6-14-10)15-3-1-7(12)2-4-15/h5-7H,1-4H2
InChIKeyAOWQVXAMBWANTQ-UHFFFAOYSA-N
MW340.57 g/mol
LogP3.28
Rot. Bonds1

About 2-chloro-4-(4-fluoropiperidin-1-yl)-5-iodopyridine

2-chloro-4-(4-fluoropiperidin-1-yl)-5-iodopyridine (PubChem CID 167427059) has the molecular formula C10H11ClFIN2 and a molecular weight of 340.57 g/mol. Its IUPAC name is 2-chloro-4-(4-fluoropiperidin-1-yl)-5-iodopyridine.

Molecular Properties

Compound Name2-chloro-4-(4-fluoropiperidin-1-yl)-5-iodopyridine
PubChem CID167427059
Molecular FormulaC10H11ClFIN2
Molecular Weight340.57 g/mol
Exact Mass339.96
IUPAC Name2-chloro-4-(4-fluoropiperidin-1-yl)-5-iodopyridine
SMILESFC1CCN(c2cc(Cl)ncc2I)CC1
InChIInChI=1S/C10H11ClFIN2/c11-10-5-9(8(13)6-14-10)15-3-1-7(12)2-4-15/h5-7H,1-4H2
InChIKeyAOWQVXAMBWANTQ-UHFFFAOYSA-N
XLogP3.28
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.57
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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-iodopyridine
CID 1516511
3-Chloro-4-iodopyridine
CID 12602200
2,4-Dichloro-5-iodopyridine
CID 10540233
2,4-Dichloro-3-iodopyridine
CID 10636017
2-Chloro-3-fluoro-4-iodopyridine
CID 11065087

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-fluoropiperidin-1-yl)-5-iodopyridine?
The IUPAC name of 2-chloro-4-(4-fluoropiperidin-1-yl)-5-iodopyridine (CID 167427059) is 2-chloro-4-(4-fluoropiperidin-1-yl)-5-iodopyridine.
What is the SMILES notation for 2-chloro-4-(4-fluoropiperidin-1-yl)-5-iodopyridine?
The canonical SMILES for 2-chloro-4-(4-fluoropiperidin-1-yl)-5-iodopyridine is FC1CCN(c2cc(Cl)ncc2I)CC1.
What is the InChIKey of 2-chloro-4-(4-fluoropiperidin-1-yl)-5-iodopyridine?
The InChIKey is AOWQVXAMBWANTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFIN2/c11-10-5-9(8(13)6-14-10)15-3-1-7(12)2-4-15/h5-7H,1-4H2.
What are the key properties of 2-chloro-4-(4-fluoropiperidin-1-yl)-5-iodopyridine?
2-chloro-4-(4-fluoropiperidin-1-yl)-5-iodopyridine has a molecular weight of 340.57 g/mol, XLogP of 3.28, 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-fluoropiperidin-1-yl)-5-iodopyridine is sourced from PubChem (CID 167427059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).