6-amino-5-fluoro-2-methyl-1-pyridin-4-ylhexa-2,4-dien-1-ol

C12H15FN2O — CID 123594258

IUPAC6-amino-5-fluoro-2-methyl-1-pyridin-4-ylhexa-2,4-dien-1-ol
SMILESCC(=CC=C(F)CN)C(O)c1ccncc1
InChIInChI=1S/C12H15FN2O/c1-9(2-3-11(13)8-14)12(16)10-4-6-15-7-5-10/h2-7,12,16H,8,14H2,1H3
InChIKeyRFHZDUOSVDORDF-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.87
Rot. Bonds4

About 6-amino-5-fluoro-2-methyl-1-pyridin-4-ylhexa-2,4-dien-1-ol

6-amino-5-fluoro-2-methyl-1-pyridin-4-ylhexa-2,4-dien-1-ol (PubChem CID 123594258) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 6-amino-5-fluoro-2-methyl-1-pyridin-4-ylhexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-amino-5-fluoro-2-methyl-1-pyridin-4-ylhexa-2,4-dien-1-ol
PubChem CID123594258
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name6-amino-5-fluoro-2-methyl-1-pyridin-4-ylhexa-2,4-dien-1-ol
SMILESCC(=CC=C(F)CN)C(O)c1ccncc1
InChIInChI=1S/C12H15FN2O/c1-9(2-3-11(13)8-14)12(16)10-4-6-15-7-5-10/h2-7,12,16H,8,14H2,1H3
InChIKeyRFHZDUOSVDORDF-UHFFFAOYSA-N
XLogP1.87
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 6-amino-5-fluoro-2-methyl-1-pyridin-4-ylhexa-2,4-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-fluoro-2-methyl-1-pyridin-4-ylhexa-2,4-dien-1-ol?
The IUPAC name of 6-amino-5-fluoro-2-methyl-1-pyridin-4-ylhexa-2,4-dien-1-ol (CID 123594258) is 6-amino-5-fluoro-2-methyl-1-pyridin-4-ylhexa-2,4-dien-1-ol.
What is the SMILES notation for 6-amino-5-fluoro-2-methyl-1-pyridin-4-ylhexa-2,4-dien-1-ol?
The canonical SMILES for 6-amino-5-fluoro-2-methyl-1-pyridin-4-ylhexa-2,4-dien-1-ol is CC(=CC=C(F)CN)C(O)c1ccncc1.
What is the InChIKey of 6-amino-5-fluoro-2-methyl-1-pyridin-4-ylhexa-2,4-dien-1-ol?
The InChIKey is RFHZDUOSVDORDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-9(2-3-11(13)8-14)12(16)10-4-6-15-7-5-10/h2-7,12,16H,8,14H2,1H3.
What are the key properties of 6-amino-5-fluoro-2-methyl-1-pyridin-4-ylhexa-2,4-dien-1-ol?
6-amino-5-fluoro-2-methyl-1-pyridin-4-ylhexa-2,4-dien-1-ol has a molecular weight of 222.26 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-fluoro-2-methyl-1-pyridin-4-ylhexa-2,4-dien-1-ol is sourced from PubChem (CID 123594258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).