3,5-difluoro-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine

C10H14F2N2 — CID 135135408

IUPAC3,5-difluoro-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine
SMILESFC1=CC(F)=C(CC2CCNC2)NC1
InChIInChI=1S/C10H14F2N2/c11-8-4-9(12)10(14-6-8)3-7-1-2-13-5-7/h4,7,13-14H,1-3,5-6H2
InChIKeyOSKXMCJHSZFWTQ-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.62
Rot. Bonds2

About 3,5-difluoro-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine

3,5-difluoro-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine (PubChem CID 135135408) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 3,5-difluoro-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name3,5-difluoro-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine
PubChem CID135135408
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name3,5-difluoro-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine
SMILESFC1=CC(F)=C(CC2CCNC2)NC1
InChIInChI=1S/C10H14F2N2/c11-8-4-9(12)10(14-6-8)3-7-1-2-13-5-7/h4,7,13-14H,1-3,5-6H2
InChIKeyOSKXMCJHSZFWTQ-UHFFFAOYSA-N
XLogP1.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine?
The IUPAC name of 3,5-difluoro-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine (CID 135135408) is 3,5-difluoro-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine.
What is the SMILES notation for 3,5-difluoro-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine?
The canonical SMILES for 3,5-difluoro-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine is FC1=CC(F)=C(CC2CCNC2)NC1.
What is the InChIKey of 3,5-difluoro-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine?
The InChIKey is OSKXMCJHSZFWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c11-8-4-9(12)10(14-6-8)3-7-1-2-13-5-7/h4,7,13-14H,1-3,5-6H2.
What are the key properties of 3,5-difluoro-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine?
3,5-difluoro-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine has a molecular weight of 200.23 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine is sourced from PubChem (CID 135135408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).