1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-ol

C14H21FN2O2 — CID 112586400

IUPAC1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-ol
SMILESCC(CN1CCCC1CO)C(O)c1ccc(F)cn1
InChIInChI=1S/C14H21FN2O2/c1-10(8-17-6-2-3-12(17)9-18)14(19)13-5-4-11(15)7-16-13/h4-5,7,10,12,14,18-19H,2-3,6,8-9H2,1H3
InChIKeyBKVVNDPOWJBROE-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.35
Rot. Bonds5

About 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-ol

1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-ol (PubChem CID 112586400) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-ol
PubChem CID112586400
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-ol
SMILESCC(CN1CCCC1CO)C(O)c1ccc(F)cn1
InChIInChI=1S/C14H21FN2O2/c1-10(8-17-6-2-3-12(17)9-18)14(19)13-5-4-11(15)7-16-13/h4-5,7,10,12,14,18-19H,2-3,6,8-9H2,1H3
InChIKeyBKVVNDPOWJBROE-UHFFFAOYSA-N
XLogP1.35
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-ol?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-ol (CID 112586400) is 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-ol?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-ol is CC(CN1CCCC1CO)C(O)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-ol?
The InChIKey is BKVVNDPOWJBROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-10(8-17-6-2-3-12(17)9-18)14(19)13-5-4-11(15)7-16-13/h4-5,7,10,12,14,18-19H,2-3,6,8-9H2,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-ol?
1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-ol has a molecular weight of 268.33 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 112586400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).