2-chloro-4-(4,4-difluoropiperidin-1-yl)pyridine

C10H11ClF2N2 — CID 121204880

IUPAC2-chloro-4-(4,4-difluoropiperidin-1-yl)pyridine
SMILESFC1(F)CCN(c2ccnc(Cl)c2)CC1
InChIInChI=1S/C10H11ClF2N2/c11-9-7-8(1-4-14-9)15-5-2-10(12,13)3-6-15/h1,4,7H,2-3,5-6H2
InChIKeyRWDDDURBOCZMJU-UHFFFAOYSA-N
MW232.66 g/mol
LogP2.97
Rot. Bonds1

About 2-chloro-4-(4,4-difluoropiperidin-1-yl)pyridine

2-chloro-4-(4,4-difluoropiperidin-1-yl)pyridine (PubChem CID 121204880) has the molecular formula C10H11ClF2N2 and a molecular weight of 232.66 g/mol. Its IUPAC name is 2-chloro-4-(4,4-difluoropiperidin-1-yl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(4,4-difluoropiperidin-1-yl)pyridine
PubChem CID121204880
Molecular FormulaC10H11ClF2N2
Molecular Weight232.66 g/mol
Exact Mass232.06
IUPAC Name2-chloro-4-(4,4-difluoropiperidin-1-yl)pyridine
SMILESFC1(F)CCN(c2ccnc(Cl)c2)CC1
InChIInChI=1S/C10H11ClF2N2/c11-9-7-8(1-4-14-9)15-5-2-10(12,13)3-6-15/h1,4,7H,2-3,5-6H2
InChIKeyRWDDDURBOCZMJU-UHFFFAOYSA-N
XLogP2.97
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.66
LogP ≤ 52.97
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

2-Chloropyridine
CID 7977
4-(Dimethylamino)pyridine
CID 14284
3-Chloropyridin-4-amine
CID 581853
1-(3-Chloropyridin-4-yl)piperazine
CID 11651319
1,4'-Bipyridinium, chloride, hydrochloride (1:1:1)
CID 79461
2-Chloropyridin-4-amine
CID 84432
2-Chloro-5-[(2-methylpiperidin-1-yl)methyl]pyridine
CID 3711158
2-Chloro-5-(piperidin-1-ylmethyl)pyridine
CID 1473525
4-(4-Methylpiperazino)pyridine
CID 10035151
4-Piperidinopyridine
CID 76002
2-Chloro-4-fluoropyridine
CID 2782792
2-Chloro-5-fluoropyridine
CID 2782801

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4,4-difluoropiperidin-1-yl)pyridine?
The IUPAC name of 2-chloro-4-(4,4-difluoropiperidin-1-yl)pyridine (CID 121204880) is 2-chloro-4-(4,4-difluoropiperidin-1-yl)pyridine.
What is the SMILES notation for 2-chloro-4-(4,4-difluoropiperidin-1-yl)pyridine?
The canonical SMILES for 2-chloro-4-(4,4-difluoropiperidin-1-yl)pyridine is FC1(F)CCN(c2ccnc(Cl)c2)CC1.
What is the InChIKey of 2-chloro-4-(4,4-difluoropiperidin-1-yl)pyridine?
The InChIKey is RWDDDURBOCZMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2N2/c11-9-7-8(1-4-14-9)15-5-2-10(12,13)3-6-15/h1,4,7H,2-3,5-6H2.
What are the key properties of 2-chloro-4-(4,4-difluoropiperidin-1-yl)pyridine?
2-chloro-4-(4,4-difluoropiperidin-1-yl)pyridine has a molecular weight of 232.66 g/mol, XLogP of 2.97, 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)pyridine is sourced from PubChem (CID 121204880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).