3-[(4-fluoro-N-sulfinoanilino)methyl]pyridine

C12H11FN2O2S — CID 174419300

IUPAC3-[(4-fluoro-N-sulfinoanilino)methyl]pyridine
SMILESO=S(O)N(Cc1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O2S/c13-11-3-5-12(6-4-11)15(18(16)17)9-10-2-1-7-14-8-10/h1-8H,9H2,(H,16,17)
InChIKeyHGDAAAQPLBZEGO-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.36
Rot. Bonds4

About 3-[(4-fluoro-N-sulfinoanilino)methyl]pyridine

3-[(4-fluoro-N-sulfinoanilino)methyl]pyridine (PubChem CID 174419300) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[(4-fluoro-N-sulfinoanilino)methyl]pyridine.

Molecular Properties

Compound Name3-[(4-fluoro-N-sulfinoanilino)methyl]pyridine
PubChem CID174419300
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name3-[(4-fluoro-N-sulfinoanilino)methyl]pyridine
SMILESO=S(O)N(Cc1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O2S/c13-11-3-5-12(6-4-11)15(18(16)17)9-10-2-1-7-14-8-10/h1-8H,9H2,(H,16,17)
InChIKeyHGDAAAQPLBZEGO-UHFFFAOYSA-N
XLogP2.36
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(4-fluoro-N-sulfinoanilino)methyl]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 110360828
N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpropanamide
CID 110360844
N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 71938987
N-(4-fluorophenyl)-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360866
1-(4-fluorophenyl)-4-[methyl(pyridin-3-ylmethyl)amino]butan-1-one
CID 60692668
N-(4-fluorophenyl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 13304879
1-(4-fluorophenyl)-4-pyridin-3-ylbutan-1-one
CID 57095920
3-[(4-fluorophenyl)methyl-(pyridin-3-ylmethyl)amino]propanoic acid
CID 82327660
N-(4-fluorophenyl)-2-(6-methyl-3-pyridinyl)-N-(pyridin-3-ylmethyl)acetamide
CID 75416170
1-(4-fluorophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
CID 62051227
N-(4-fluorophenyl)-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 110360811
N-(4-fluorophenyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 110360820

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-N-sulfinoanilino)methyl]pyridine?
The IUPAC name of 3-[(4-fluoro-N-sulfinoanilino)methyl]pyridine (CID 174419300) is 3-[(4-fluoro-N-sulfinoanilino)methyl]pyridine.
What is the SMILES notation for 3-[(4-fluoro-N-sulfinoanilino)methyl]pyridine?
The canonical SMILES for 3-[(4-fluoro-N-sulfinoanilino)methyl]pyridine is O=S(O)N(Cc1cccnc1)c1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluoro-N-sulfinoanilino)methyl]pyridine?
The InChIKey is HGDAAAQPLBZEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c13-11-3-5-12(6-4-11)15(18(16)17)9-10-2-1-7-14-8-10/h1-8H,9H2,(H,16,17).
What are the key properties of 3-[(4-fluoro-N-sulfinoanilino)methyl]pyridine?
3-[(4-fluoro-N-sulfinoanilino)methyl]pyridine has a molecular weight of 266.30 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-N-sulfinoanilino)methyl]pyridine is sourced from PubChem (CID 174419300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).