(6R)-6-(5-amino-2-fluorophenyl)-5,5-difluoro-3,6-dimethyl-3-methylsulfonyl-4H-pyridin-2-amine

C14H18F3N3O2S — CID 126733753

IUPAC(6R)-6-(5-amino-2-fluorophenyl)-5,5-difluoro-3,6-dimethyl-3-methylsulfonyl-4H-pyridin-2-amine
SMILESCC1(S(C)(=O)=O)CC(F)(F)[C@@](C)(c2cc(N)ccc2F)N=C1N
InChIInChI=1S/C14H18F3N3O2S/c1-12(23(3,21)22)7-14(16,17)13(2,20-11(12)19)9-6-8(18)4-5-10(9)15/h4-6H,7,18H2,1-3H3,(H2,19,20)/t12?,13-/m1/s1
InChIKeyZJXVFCSZMUUQIG-ZGTCLIOFSA-N
MW349.38 g/mol
LogP1.82
Rot. Bonds2

About (6R)-6-(5-amino-2-fluorophenyl)-5,5-difluoro-3,6-dimethyl-3-methylsulfonyl-4H-pyridin-2-amine

(6R)-6-(5-amino-2-fluorophenyl)-5,5-difluoro-3,6-dimethyl-3-methylsulfonyl-4H-pyridin-2-amine (PubChem CID 126733753) has the molecular formula C14H18F3N3O2S and a molecular weight of 349.38 g/mol. Its IUPAC name is (6R)-6-(5-amino-2-fluorophenyl)-5,5-difluoro-3,6-dimethyl-3-methylsulfonyl-4H-pyridin-2-amine.

Molecular Properties

Compound Name(6R)-6-(5-amino-2-fluorophenyl)-5,5-difluoro-3,6-dimethyl-3-methylsulfonyl-4H-pyridin-2-amine
PubChem CID126733753
Molecular FormulaC14H18F3N3O2S
Molecular Weight349.38 g/mol
Exact Mass349.11
IUPAC Name(6R)-6-(5-amino-2-fluorophenyl)-5,5-difluoro-3,6-dimethyl-3-methylsulfonyl-4H-pyridin-2-amine
SMILESCC1(S(C)(=O)=O)CC(F)(F)[C@@](C)(c2cc(N)ccc2F)N=C1N
InChIInChI=1S/C14H18F3N3O2S/c1-12(23(3,21)22)7-14(16,17)13(2,20-11(12)19)9-6-8(18)4-5-10(9)15/h4-6H,7,18H2,1-3H3,(H2,19,20)/t12?,13-/m1/s1
InChIKeyZJXVFCSZMUUQIG-ZGTCLIOFSA-N
XLogP1.82
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-(5-amino-2-fluorophenyl)-5,5-difluoro-3,6-dimethyl-3-methylsulfonyl-4H-pyridin-2-amine?
The IUPAC name of (6R)-6-(5-amino-2-fluorophenyl)-5,5-difluoro-3,6-dimethyl-3-methylsulfonyl-4H-pyridin-2-amine (CID 126733753) is (6R)-6-(5-amino-2-fluorophenyl)-5,5-difluoro-3,6-dimethyl-3-methylsulfonyl-4H-pyridin-2-amine.
What is the SMILES notation for (6R)-6-(5-amino-2-fluorophenyl)-5,5-difluoro-3,6-dimethyl-3-methylsulfonyl-4H-pyridin-2-amine?
The canonical SMILES for (6R)-6-(5-amino-2-fluorophenyl)-5,5-difluoro-3,6-dimethyl-3-methylsulfonyl-4H-pyridin-2-amine is CC1(S(C)(=O)=O)CC(F)(F)[C@@](C)(c2cc(N)ccc2F)N=C1N.
What is the InChIKey of (6R)-6-(5-amino-2-fluorophenyl)-5,5-difluoro-3,6-dimethyl-3-methylsulfonyl-4H-pyridin-2-amine?
The InChIKey is ZJXVFCSZMUUQIG-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H18F3N3O2S/c1-12(23(3,21)22)7-14(16,17)13(2,20-11(12)19)9-6-8(18)4-5-10(9)15/h4-6H,7,18H2,1-3H3,(H2,19,20)/t12?,13-/m1/s1.
What are the key properties of (6R)-6-(5-amino-2-fluorophenyl)-5,5-difluoro-3,6-dimethyl-3-methylsulfonyl-4H-pyridin-2-amine?
(6R)-6-(5-amino-2-fluorophenyl)-5,5-difluoro-3,6-dimethyl-3-methylsulfonyl-4H-pyridin-2-amine has a molecular weight of 349.38 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(5-amino-2-fluorophenyl)-5,5-difluoro-3,6-dimethyl-3-methylsulfonyl-4H-pyridin-2-amine is sourced from PubChem (CID 126733753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).