6-[(N-ethyl-4-fluoroanilino)methyl]pyridin-3-ol

C14H15FN2O — CID 82981833

IUPAC6-[(N-ethyl-4-fluoroanilino)methyl]pyridin-3-ol
SMILESCCN(Cc1ccc(O)cn1)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O/c1-2-17(13-6-3-11(15)4-7-13)10-12-5-8-14(18)9-16-12/h3-9,18H,2,10H2,1H3
InChIKeyLJDOHFVWRAAZMI-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.95
Rot. Bonds4

About 6-[(N-ethyl-4-fluoroanilino)methyl]pyridin-3-ol

6-[(N-ethyl-4-fluoroanilino)methyl]pyridin-3-ol (PubChem CID 82981833) has the molecular formula C14H15FN2O and a molecular weight of 246.29 g/mol. Its IUPAC name is 6-[(N-ethyl-4-fluoroanilino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[(N-ethyl-4-fluoroanilino)methyl]pyridin-3-ol
PubChem CID82981833
Molecular FormulaC14H15FN2O
Molecular Weight246.29 g/mol
Exact Mass246.12
IUPAC Name6-[(N-ethyl-4-fluoroanilino)methyl]pyridin-3-ol
SMILESCCN(Cc1ccc(O)cn1)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O/c1-2-17(13-6-3-11(15)4-7-13)10-12-5-8-14(18)9-16-12/h3-9,18H,2,10H2,1H3
InChIKeyLJDOHFVWRAAZMI-UHFFFAOYSA-N
XLogP2.95
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(N-ethyl-4-fluoroanilino)methyl]pyridin-3-ol?
The IUPAC name of 6-[(N-ethyl-4-fluoroanilino)methyl]pyridin-3-ol (CID 82981833) is 6-[(N-ethyl-4-fluoroanilino)methyl]pyridin-3-ol.
What is the SMILES notation for 6-[(N-ethyl-4-fluoroanilino)methyl]pyridin-3-ol?
The canonical SMILES for 6-[(N-ethyl-4-fluoroanilino)methyl]pyridin-3-ol is CCN(Cc1ccc(O)cn1)c1ccc(F)cc1.
What is the InChIKey of 6-[(N-ethyl-4-fluoroanilino)methyl]pyridin-3-ol?
The InChIKey is LJDOHFVWRAAZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-2-17(13-6-3-11(15)4-7-13)10-12-5-8-14(18)9-16-12/h3-9,18H,2,10H2,1H3.
What are the key properties of 6-[(N-ethyl-4-fluoroanilino)methyl]pyridin-3-ol?
6-[(N-ethyl-4-fluoroanilino)methyl]pyridin-3-ol has a molecular weight of 246.29 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(N-ethyl-4-fluoroanilino)methyl]pyridin-3-ol is sourced from PubChem (CID 82981833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).