3-(6-fluoro-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine

C17H14FN3O2S — CID 53311562

IUPAC3-(6-fluoro-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(F)nc3)c2)cc1
InChIInChI=1S/C17H14FN3O2S/c1-24(22,23)14-5-2-11(3-6-14)13-8-15(17(19)21-10-13)12-4-7-16(18)20-9-12/h2-10H,1H3,(H2,19,21)
InChIKeyYUQXMDIJCYMKBB-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.94
Rot. Bonds3

About 3-(6-fluoro-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine

3-(6-fluoro-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine (PubChem CID 53311562) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is 3-(6-fluoro-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(6-fluoro-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
PubChem CID53311562
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC Name3-(6-fluoro-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(F)nc3)c2)cc1
InChIInChI=1S/C17H14FN3O2S/c1-24(22,23)14-5-2-11(3-6-14)13-8-15(17(19)21-10-13)12-4-7-16(18)20-9-12/h2-10H,1H3,(H2,19,21)
InChIKeyYUQXMDIJCYMKBB-UHFFFAOYSA-N
XLogP2.94
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine?
The IUPAC name of 3-(6-fluoro-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine (CID 53311562) is 3-(6-fluoro-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-(6-fluoro-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine?
The canonical SMILES for 3-(6-fluoro-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine is CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(F)nc3)c2)cc1.
What is the InChIKey of 3-(6-fluoro-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine?
The InChIKey is YUQXMDIJCYMKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c1-24(22,23)14-5-2-11(3-6-14)13-8-15(17(19)21-10-13)12-4-7-16(18)20-9-12/h2-10H,1H3,(H2,19,21).
What are the key properties of 3-(6-fluoro-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine?
3-(6-fluoro-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine has a molecular weight of 343.38 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine is sourced from PubChem (CID 53311562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).