2-fluoro-3-methyl-4-pyrrolidin-1-ylpyridine

C10H13FN2 — CID 66850226

IUPAC2-fluoro-3-methyl-4-pyrrolidin-1-ylpyridine
SMILESCc1c(N2CCCC2)ccnc1F
InChIInChI=1S/C10H13FN2/c1-8-9(4-5-12-10(8)11)13-6-2-3-7-13/h4-5H,2-3,6-7H2,1H3
InChIKeyFYIHATWOQSSZRR-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.13
Rot. Bonds1

About 2-fluoro-3-methyl-4-pyrrolidin-1-ylpyridine

2-fluoro-3-methyl-4-pyrrolidin-1-ylpyridine (PubChem CID 66850226) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 2-fluoro-3-methyl-4-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name2-fluoro-3-methyl-4-pyrrolidin-1-ylpyridine
PubChem CID66850226
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name2-fluoro-3-methyl-4-pyrrolidin-1-ylpyridine
SMILESCc1c(N2CCCC2)ccnc1F
InChIInChI=1S/C10H13FN2/c1-8-9(4-5-12-10(8)11)13-6-2-3-7-13/h4-5H,2-3,6-7H2,1H3
InChIKeyFYIHATWOQSSZRR-UHFFFAOYSA-N
XLogP2.13
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.13
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-fluoro-3-methyl-4-pyrrolidin-1-ylpyridine?
The IUPAC name of 2-fluoro-3-methyl-4-pyrrolidin-1-ylpyridine (CID 66850226) is 2-fluoro-3-methyl-4-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 2-fluoro-3-methyl-4-pyrrolidin-1-ylpyridine?
The canonical SMILES for 2-fluoro-3-methyl-4-pyrrolidin-1-ylpyridine is Cc1c(N2CCCC2)ccnc1F.
What is the InChIKey of 2-fluoro-3-methyl-4-pyrrolidin-1-ylpyridine?
The InChIKey is FYIHATWOQSSZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c1-8-9(4-5-12-10(8)11)13-6-2-3-7-13/h4-5H,2-3,6-7H2,1H3.
What are the key properties of 2-fluoro-3-methyl-4-pyrrolidin-1-ylpyridine?
2-fluoro-3-methyl-4-pyrrolidin-1-ylpyridine has a molecular weight of 180.23 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-4-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 66850226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).