4-fluoro-1-(2-methyl-4-pyridinyl)pyrrolidin-3-ol

C10H13FN2O — CID 139360611

IUPAC4-fluoro-1-(2-methyl-4-pyridinyl)pyrrolidin-3-ol
SMILESCc1cc(N2CC(O)C(F)C2)ccn1
InChIInChI=1S/C10H13FN2O/c1-7-4-8(2-3-12-7)13-5-9(11)10(14)6-13/h2-4,9-10,14H,5-6H2,1H3
InChIKeyWTOQYLGGVIDRFV-UHFFFAOYSA-N
MW196.22 g/mol
LogP0.91
Rot. Bonds1

About 4-fluoro-1-(2-methyl-4-pyridinyl)pyrrolidin-3-ol

4-fluoro-1-(2-methyl-4-pyridinyl)pyrrolidin-3-ol (PubChem CID 139360611) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is 4-fluoro-1-(2-methyl-4-pyridinyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name4-fluoro-1-(2-methyl-4-pyridinyl)pyrrolidin-3-ol
PubChem CID139360611
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name4-fluoro-1-(2-methyl-4-pyridinyl)pyrrolidin-3-ol
SMILESCc1cc(N2CC(O)C(F)C2)ccn1
InChIInChI=1S/C10H13FN2O/c1-7-4-8(2-3-12-7)13-5-9(11)10(14)6-13/h2-4,9-10,14H,5-6H2,1H3
InChIKeyWTOQYLGGVIDRFV-UHFFFAOYSA-N
XLogP0.91
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(2-methyl-4-pyridinyl)pyrrolidin-3-ol?
The IUPAC name of 4-fluoro-1-(2-methyl-4-pyridinyl)pyrrolidin-3-ol (CID 139360611) is 4-fluoro-1-(2-methyl-4-pyridinyl)pyrrolidin-3-ol.
What is the SMILES notation for 4-fluoro-1-(2-methyl-4-pyridinyl)pyrrolidin-3-ol?
The canonical SMILES for 4-fluoro-1-(2-methyl-4-pyridinyl)pyrrolidin-3-ol is Cc1cc(N2CC(O)C(F)C2)ccn1.
What is the InChIKey of 4-fluoro-1-(2-methyl-4-pyridinyl)pyrrolidin-3-ol?
The InChIKey is WTOQYLGGVIDRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-7-4-8(2-3-12-7)13-5-9(11)10(14)6-13/h2-4,9-10,14H,5-6H2,1H3.
What are the key properties of 4-fluoro-1-(2-methyl-4-pyridinyl)pyrrolidin-3-ol?
4-fluoro-1-(2-methyl-4-pyridinyl)pyrrolidin-3-ol has a molecular weight of 196.22 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(2-methyl-4-pyridinyl)pyrrolidin-3-ol is sourced from PubChem (CID 139360611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).