2-[2-(chloromethyl)pyrrolidin-1-yl]-3,5-difluoropyridine

C10H11ClF2N2 — CID 112676541

IUPAC2-[2-(chloromethyl)pyrrolidin-1-yl]-3,5-difluoropyridine
SMILESFc1cnc(N2CCCC2CCl)c(F)c1
InChIInChI=1S/C10H11ClF2N2/c11-5-8-2-1-3-15(8)10-9(13)4-7(12)6-14-10/h4,6,8H,1-3,5H2
InChIKeyHFXNHKMPKVPBQB-UHFFFAOYSA-N
MW232.66 g/mol
LogP2.57
Rot. Bonds2

About 2-[2-(chloromethyl)pyrrolidin-1-yl]-3,5-difluoropyridine

2-[2-(chloromethyl)pyrrolidin-1-yl]-3,5-difluoropyridine (PubChem CID 112676541) has the molecular formula C10H11ClF2N2 and a molecular weight of 232.66 g/mol. Its IUPAC name is 2-[2-(chloromethyl)pyrrolidin-1-yl]-3,5-difluoropyridine.

Molecular Properties

Compound Name2-[2-(chloromethyl)pyrrolidin-1-yl]-3,5-difluoropyridine
PubChem CID112676541
Molecular FormulaC10H11ClF2N2
Molecular Weight232.66 g/mol
Exact Mass232.06
IUPAC Name2-[2-(chloromethyl)pyrrolidin-1-yl]-3,5-difluoropyridine
SMILESFc1cnc(N2CCCC2CCl)c(F)c1
InChIInChI=1S/C10H11ClF2N2/c11-5-8-2-1-3-15(8)10-9(13)4-7(12)6-14-10/h4,6,8H,1-3,5H2
InChIKeyHFXNHKMPKVPBQB-UHFFFAOYSA-N
XLogP2.57
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.66
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)pyrrolidin-1-yl]-3,5-difluoropyridine?
The IUPAC name of 2-[2-(chloromethyl)pyrrolidin-1-yl]-3,5-difluoropyridine (CID 112676541) is 2-[2-(chloromethyl)pyrrolidin-1-yl]-3,5-difluoropyridine.
What is the SMILES notation for 2-[2-(chloromethyl)pyrrolidin-1-yl]-3,5-difluoropyridine?
The canonical SMILES for 2-[2-(chloromethyl)pyrrolidin-1-yl]-3,5-difluoropyridine is Fc1cnc(N2CCCC2CCl)c(F)c1.
What is the InChIKey of 2-[2-(chloromethyl)pyrrolidin-1-yl]-3,5-difluoropyridine?
The InChIKey is HFXNHKMPKVPBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2N2/c11-5-8-2-1-3-15(8)10-9(13)4-7(12)6-14-10/h4,6,8H,1-3,5H2.
What are the key properties of 2-[2-(chloromethyl)pyrrolidin-1-yl]-3,5-difluoropyridine?
2-[2-(chloromethyl)pyrrolidin-1-yl]-3,5-difluoropyridine has a molecular weight of 232.66 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)pyrrolidin-1-yl]-3,5-difluoropyridine is sourced from PubChem (CID 112676541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).