[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-4-pyridinyl]methanol

C16H17FN2O — CID 131945950

IUPAC[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-4-pyridinyl]methanol
SMILESOCc1ccnc(N2CCC(c3ccc(F)cc3)C2)c1
InChIInChI=1S/C16H17FN2O/c17-15-3-1-13(2-4-15)14-6-8-19(10-14)16-9-12(11-20)5-7-18-16/h1-5,7,9,14,20H,6,8,10-11H2
InChIKeyNCDNHMKOQIVRJZ-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.71
Rot. Bonds3

About [2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-4-pyridinyl]methanol

[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-4-pyridinyl]methanol (PubChem CID 131945950) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is [2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-4-pyridinyl]methanol
PubChem CID131945950
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-4-pyridinyl]methanol
SMILESOCc1ccnc(N2CCC(c3ccc(F)cc3)C2)c1
InChIInChI=1S/C16H17FN2O/c17-15-3-1-13(2-4-15)14-6-8-19(10-14)16-9-12(11-20)5-7-18-16/h1-5,7,9,14,20H,6,8,10-11H2
InChIKeyNCDNHMKOQIVRJZ-UHFFFAOYSA-N
XLogP2.71
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-4-pyridinyl]methanol?
The IUPAC name of [2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-4-pyridinyl]methanol (CID 131945950) is [2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-4-pyridinyl]methanol.
What is the SMILES notation for [2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-4-pyridinyl]methanol?
The canonical SMILES for [2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-4-pyridinyl]methanol is OCc1ccnc(N2CCC(c3ccc(F)cc3)C2)c1.
What is the InChIKey of [2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-4-pyridinyl]methanol?
The InChIKey is NCDNHMKOQIVRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c17-15-3-1-13(2-4-15)14-6-8-19(10-14)16-9-12(11-20)5-7-18-16/h1-5,7,9,14,20H,6,8,10-11H2.
What are the key properties of [2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-4-pyridinyl]methanol?
[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-4-pyridinyl]methanol has a molecular weight of 272.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-4-pyridinyl]methanol is sourced from PubChem (CID 131945950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).