[1-[(3-fluoro-4-pyridinyl)-methylamino]pyrrol-2-yl]methanol

C11H12FN3O — CID 15170584

IUPAC[1-[(3-fluoro-4-pyridinyl)-methylamino]pyrrol-2-yl]methanol
SMILESCN(c1ccncc1F)n1cccc1CO
InChIInChI=1S/C11H12FN3O/c1-14(11-4-5-13-7-10(11)12)15-6-2-3-9(15)8-16/h2-7,16H,8H2,1H3
InChIKeyUUNMUNILEXQBAO-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.41
Rot. Bonds3

About [1-[(3-fluoro-4-pyridinyl)-methylamino]pyrrol-2-yl]methanol

[1-[(3-fluoro-4-pyridinyl)-methylamino]pyrrol-2-yl]methanol (PubChem CID 15170584) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is [1-[(3-fluoro-4-pyridinyl)-methylamino]pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(3-fluoro-4-pyridinyl)-methylamino]pyrrol-2-yl]methanol
PubChem CID15170584
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Name[1-[(3-fluoro-4-pyridinyl)-methylamino]pyrrol-2-yl]methanol
SMILESCN(c1ccncc1F)n1cccc1CO
InChIInChI=1S/C11H12FN3O/c1-14(11-4-5-13-7-10(11)12)15-6-2-3-9(15)8-16/h2-7,16H,8H2,1H3
InChIKeyUUNMUNILEXQBAO-UHFFFAOYSA-N
XLogP1.41
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-fluoro-4-pyridinyl)-methylamino]pyrrol-2-yl]methanol?
The IUPAC name of [1-[(3-fluoro-4-pyridinyl)-methylamino]pyrrol-2-yl]methanol (CID 15170584) is [1-[(3-fluoro-4-pyridinyl)-methylamino]pyrrol-2-yl]methanol.
What is the SMILES notation for [1-[(3-fluoro-4-pyridinyl)-methylamino]pyrrol-2-yl]methanol?
The canonical SMILES for [1-[(3-fluoro-4-pyridinyl)-methylamino]pyrrol-2-yl]methanol is CN(c1ccncc1F)n1cccc1CO.
What is the InChIKey of [1-[(3-fluoro-4-pyridinyl)-methylamino]pyrrol-2-yl]methanol?
The InChIKey is UUNMUNILEXQBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-14(11-4-5-13-7-10(11)12)15-6-2-3-9(15)8-16/h2-7,16H,8H2,1H3.
What are the key properties of [1-[(3-fluoro-4-pyridinyl)-methylamino]pyrrol-2-yl]methanol?
[1-[(3-fluoro-4-pyridinyl)-methylamino]pyrrol-2-yl]methanol has a molecular weight of 221.23 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-fluoro-4-pyridinyl)-methylamino]pyrrol-2-yl]methanol is sourced from PubChem (CID 15170584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).