5-bromo-3-[(1S)-1-(2,6-difluorophenyl)ethoxy]pyridin-2-amine

C13H11BrF2N2O — CID 164858653

IUPAC5-bromo-3-[(1S)-1-(2,6-difluorophenyl)ethoxy]pyridin-2-amine
SMILESC[C@H](Oc1cc(Br)cnc1N)c1c(F)cccc1F
InChIInChI=1S/C13H11BrF2N2O/c1-7(12-9(15)3-2-4-10(12)16)19-11-5-8(14)6-18-13(11)17/h2-7H,1H3,(H2,17,18)/t7-/m0/s1
InChIKeyLKUWKEFAKUWJGZ-ZETCQYMHSA-N
MW329.14 g/mol
LogP3.84
Rot. Bonds3

About 5-bromo-3-[(1S)-1-(2,6-difluorophenyl)ethoxy]pyridin-2-amine

5-bromo-3-[(1S)-1-(2,6-difluorophenyl)ethoxy]pyridin-2-amine (PubChem CID 164858653) has the molecular formula C13H11BrF2N2O and a molecular weight of 329.14 g/mol. Its IUPAC name is 5-bromo-3-[(1S)-1-(2,6-difluorophenyl)ethoxy]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[(1S)-1-(2,6-difluorophenyl)ethoxy]pyridin-2-amine
PubChem CID164858653
Molecular FormulaC13H11BrF2N2O
Molecular Weight329.14 g/mol
Exact Mass328.00
IUPAC Name5-bromo-3-[(1S)-1-(2,6-difluorophenyl)ethoxy]pyridin-2-amine
SMILESC[C@H](Oc1cc(Br)cnc1N)c1c(F)cccc1F
InChIInChI=1S/C13H11BrF2N2O/c1-7(12-9(15)3-2-4-10(12)16)19-11-5-8(14)6-18-13(11)17/h2-7H,1H3,(H2,17,18)/t7-/m0/s1
InChIKeyLKUWKEFAKUWJGZ-ZETCQYMHSA-N
XLogP3.84
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]pyridin-2-amine
CID 170429363
5-bromo-3-[1-(3-chlorophenyl)ethoxy]pyridin-2-amine
CID 170429171
5-bromo-3-[1-(2-methylphenyl)ethoxy]pyridin-2-amine
CID 123369518
5-bromo-3-[1-(2-methoxyphenyl)ethoxy]pyridin-2-amine
CID 170429337
5-bromo-3-[(1S)-1-(2-chloro-5-fluorophenyl)ethoxy]pyridin-2-amine
CID 129395748
5-bromo-3-[(1R)-1-(2-chloro-5-fluorophenyl)ethoxy]pyridin-2-amine
CID 129395746
5-bromo-3-[(1R)-1-(2-chlorophenyl)ethoxy]pyridin-2-amine
CID 164858696
6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine-3-carbonitrile;5-bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
CID 160915595
5-bromo-3-[(1R)-1-(6-fluoroquinolin-8-yl)ethoxy]pyridin-2-amine
CID 124675155
5-bromo-3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]pyridin-2-amine
CID 118555269
5-bromo-3-[1-(1,3-thiazol-2-yl)ethoxy]pyridin-2-amine
CID 170429449
5-bromo-3-[(1R)-1-(6-fluoro-1,3-benzothiazol-4-yl)ethoxy]pyridin-2-amine
CID 124675134

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(1S)-1-(2,6-difluorophenyl)ethoxy]pyridin-2-amine?
The IUPAC name of 5-bromo-3-[(1S)-1-(2,6-difluorophenyl)ethoxy]pyridin-2-amine (CID 164858653) is 5-bromo-3-[(1S)-1-(2,6-difluorophenyl)ethoxy]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-[(1S)-1-(2,6-difluorophenyl)ethoxy]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-[(1S)-1-(2,6-difluorophenyl)ethoxy]pyridin-2-amine is C[C@H](Oc1cc(Br)cnc1N)c1c(F)cccc1F.
What is the InChIKey of 5-bromo-3-[(1S)-1-(2,6-difluorophenyl)ethoxy]pyridin-2-amine?
The InChIKey is LKUWKEFAKUWJGZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H11BrF2N2O/c1-7(12-9(15)3-2-4-10(12)16)19-11-5-8(14)6-18-13(11)17/h2-7H,1H3,(H2,17,18)/t7-/m0/s1.
What are the key properties of 5-bromo-3-[(1S)-1-(2,6-difluorophenyl)ethoxy]pyridin-2-amine?
5-bromo-3-[(1S)-1-(2,6-difluorophenyl)ethoxy]pyridin-2-amine has a molecular weight of 329.14 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(1S)-1-(2,6-difluorophenyl)ethoxy]pyridin-2-amine is sourced from PubChem (CID 164858653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).