5-fluoro-2-methyl-6-(1,2-oxazol-3-ylmethylsulfonyl)pyridin-3-amine;hydrochloride

C10H11ClFN3O3S — CID 161161296

IUPAC5-fluoro-2-methyl-6-(1,2-oxazol-3-ylmethylsulfonyl)pyridin-3-amine;hydrochloride
SMILESCc1nc(S(=O)(=O)Cc2ccon2)c(F)cc1N.Cl
InChIInChI=1S/C10H10FN3O3S.ClH/c1-6-9(12)4-8(11)10(13-6)18(15,16)5-7-2-3-17-14-7;/h2-4H,5,12H2,1H3;1H
InChIKeySMIKGOCSWLCCSI-UHFFFAOYSA-N
MW307.73 g/mol
LogP1.50
Rot. Bonds3

About 5-fluoro-2-methyl-6-(1,2-oxazol-3-ylmethylsulfonyl)pyridin-3-amine;hydrochloride

5-fluoro-2-methyl-6-(1,2-oxazol-3-ylmethylsulfonyl)pyridin-3-amine;hydrochloride (PubChem CID 161161296) has the molecular formula C10H11ClFN3O3S and a molecular weight of 307.73 g/mol. Its IUPAC name is 5-fluoro-2-methyl-6-(1,2-oxazol-3-ylmethylsulfonyl)pyridin-3-amine;hydrochloride.

Molecular Properties

Compound Name5-fluoro-2-methyl-6-(1,2-oxazol-3-ylmethylsulfonyl)pyridin-3-amine;hydrochloride
PubChem CID161161296
Molecular FormulaC10H11ClFN3O3S
Molecular Weight307.73 g/mol
Exact Mass307.02
IUPAC Name5-fluoro-2-methyl-6-(1,2-oxazol-3-ylmethylsulfonyl)pyridin-3-amine;hydrochloride
SMILESCc1nc(S(=O)(=O)Cc2ccon2)c(F)cc1N.Cl
InChIInChI=1S/C10H10FN3O3S.ClH/c1-6-9(12)4-8(11)10(13-6)18(15,16)5-7-2-3-17-14-7;/h2-4H,5,12H2,1H3;1H
InChIKeySMIKGOCSWLCCSI-UHFFFAOYSA-N
XLogP1.50
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-6-(1,2-oxazol-3-ylmethylsulfonyl)pyridin-3-amine;hydrochloride?
The IUPAC name of 5-fluoro-2-methyl-6-(1,2-oxazol-3-ylmethylsulfonyl)pyridin-3-amine;hydrochloride (CID 161161296) is 5-fluoro-2-methyl-6-(1,2-oxazol-3-ylmethylsulfonyl)pyridin-3-amine;hydrochloride.
What is the SMILES notation for 5-fluoro-2-methyl-6-(1,2-oxazol-3-ylmethylsulfonyl)pyridin-3-amine;hydrochloride?
The canonical SMILES for 5-fluoro-2-methyl-6-(1,2-oxazol-3-ylmethylsulfonyl)pyridin-3-amine;hydrochloride is Cc1nc(S(=O)(=O)Cc2ccon2)c(F)cc1N.Cl.
What is the InChIKey of 5-fluoro-2-methyl-6-(1,2-oxazol-3-ylmethylsulfonyl)pyridin-3-amine;hydrochloride?
The InChIKey is SMIKGOCSWLCCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O3S.ClH/c1-6-9(12)4-8(11)10(13-6)18(15,16)5-7-2-3-17-14-7;/h2-4H,5,12H2,1H3;1H.
What are the key properties of 5-fluoro-2-methyl-6-(1,2-oxazol-3-ylmethylsulfonyl)pyridin-3-amine;hydrochloride?
5-fluoro-2-methyl-6-(1,2-oxazol-3-ylmethylsulfonyl)pyridin-3-amine;hydrochloride has a molecular weight of 307.73 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-6-(1,2-oxazol-3-ylmethylsulfonyl)pyridin-3-amine;hydrochloride is sourced from PubChem (CID 161161296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).