6-amino-2-[1-(4-fluoroanilino)ethenyl]pyridin-3-ol

C13H12FN3O — CID 138653404

IUPAC6-amino-2-[1-(4-fluoroanilino)ethenyl]pyridin-3-ol
SMILESC=C(Nc1ccc(F)cc1)c1nc(N)ccc1O
InChIInChI=1S/C13H12FN3O/c1-8(13-11(18)6-7-12(15)17-13)16-10-4-2-9(14)3-5-10/h2-7,16,18H,1H2,(H2,15,17)
InChIKeyJWYLYESTVZRQHC-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.59
Rot. Bonds3

About 6-amino-2-[1-(4-fluoroanilino)ethenyl]pyridin-3-ol

6-amino-2-[1-(4-fluoroanilino)ethenyl]pyridin-3-ol (PubChem CID 138653404) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 6-amino-2-[1-(4-fluoroanilino)ethenyl]pyridin-3-ol.

Molecular Properties

Compound Name6-amino-2-[1-(4-fluoroanilino)ethenyl]pyridin-3-ol
PubChem CID138653404
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name6-amino-2-[1-(4-fluoroanilino)ethenyl]pyridin-3-ol
SMILESC=C(Nc1ccc(F)cc1)c1nc(N)ccc1O
InChIInChI=1S/C13H12FN3O/c1-8(13-11(18)6-7-12(15)17-13)16-10-4-2-9(14)3-5-10/h2-7,16,18H,1H2,(H2,15,17)
InChIKeyJWYLYESTVZRQHC-UHFFFAOYSA-N
XLogP2.59
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[1-(4-fluoroanilino)ethenyl]pyridin-3-ol?
The IUPAC name of 6-amino-2-[1-(4-fluoroanilino)ethenyl]pyridin-3-ol (CID 138653404) is 6-amino-2-[1-(4-fluoroanilino)ethenyl]pyridin-3-ol.
What is the SMILES notation for 6-amino-2-[1-(4-fluoroanilino)ethenyl]pyridin-3-ol?
The canonical SMILES for 6-amino-2-[1-(4-fluoroanilino)ethenyl]pyridin-3-ol is C=C(Nc1ccc(F)cc1)c1nc(N)ccc1O.
What is the InChIKey of 6-amino-2-[1-(4-fluoroanilino)ethenyl]pyridin-3-ol?
The InChIKey is JWYLYESTVZRQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c1-8(13-11(18)6-7-12(15)17-13)16-10-4-2-9(14)3-5-10/h2-7,16,18H,1H2,(H2,15,17).
What are the key properties of 6-amino-2-[1-(4-fluoroanilino)ethenyl]pyridin-3-ol?
6-amino-2-[1-(4-fluoroanilino)ethenyl]pyridin-3-ol has a molecular weight of 245.26 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[1-(4-fluoroanilino)ethenyl]pyridin-3-ol is sourced from PubChem (CID 138653404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).