3-(2,4-difluorophenyl)-5-(pyrrolidin-1-ylmethyl)pyridine

C16H16F2N2 — CID 46044636

IUPAC3-(2,4-difluorophenyl)-5-(pyrrolidin-1-ylmethyl)pyridine
SMILESFc1ccc(-c2cncc(CN3CCCC3)c2)c(F)c1
InChIInChI=1S/C16H16F2N2/c17-14-3-4-15(16(18)8-14)13-7-12(9-19-10-13)11-20-5-1-2-6-20/h3-4,7-10H,1-2,5-6,11H2
InChIKeyKZJAQLHDNQMQCO-UHFFFAOYSA-N
MW274.31 g/mol
LogP3.62
Rot. Bonds3

About 3-(2,4-difluorophenyl)-5-(pyrrolidin-1-ylmethyl)pyridine

3-(2,4-difluorophenyl)-5-(pyrrolidin-1-ylmethyl)pyridine (PubChem CID 46044636) has the molecular formula C16H16F2N2 and a molecular weight of 274.31 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-5-(pyrrolidin-1-ylmethyl)pyridine.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-5-(pyrrolidin-1-ylmethyl)pyridine
PubChem CID46044636
Molecular FormulaC16H16F2N2
Molecular Weight274.31 g/mol
Exact Mass274.13
IUPAC Name3-(2,4-difluorophenyl)-5-(pyrrolidin-1-ylmethyl)pyridine
SMILESFc1ccc(-c2cncc(CN3CCCC3)c2)c(F)c1
InChIInChI=1S/C16H16F2N2/c17-14-3-4-15(16(18)8-14)13-7-12(9-19-10-13)11-20-5-1-2-6-20/h3-4,7-10H,1-2,5-6,11H2
InChIKeyKZJAQLHDNQMQCO-UHFFFAOYSA-N
XLogP3.62
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-5-(pyrrolidin-1-ylmethyl)pyridine?
The IUPAC name of 3-(2,4-difluorophenyl)-5-(pyrrolidin-1-ylmethyl)pyridine (CID 46044636) is 3-(2,4-difluorophenyl)-5-(pyrrolidin-1-ylmethyl)pyridine.
What is the SMILES notation for 3-(2,4-difluorophenyl)-5-(pyrrolidin-1-ylmethyl)pyridine?
The canonical SMILES for 3-(2,4-difluorophenyl)-5-(pyrrolidin-1-ylmethyl)pyridine is Fc1ccc(-c2cncc(CN3CCCC3)c2)c(F)c1.
What is the InChIKey of 3-(2,4-difluorophenyl)-5-(pyrrolidin-1-ylmethyl)pyridine?
The InChIKey is KZJAQLHDNQMQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2/c17-14-3-4-15(16(18)8-14)13-7-12(9-19-10-13)11-20-5-1-2-6-20/h3-4,7-10H,1-2,5-6,11H2.
What are the key properties of 3-(2,4-difluorophenyl)-5-(pyrrolidin-1-ylmethyl)pyridine?
3-(2,4-difluorophenyl)-5-(pyrrolidin-1-ylmethyl)pyridine has a molecular weight of 274.31 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-5-(pyrrolidin-1-ylmethyl)pyridine is sourced from PubChem (CID 46044636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).