5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]pyridin-2-amine

C12H10BrF2N3O — CID 170429363

IUPAC5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]pyridin-2-amine
SMILESCC(Oc1cc(Br)cnc1N)c1c(F)cncc1F
InChIInChI=1S/C12H10BrF2N3O/c1-6(11-8(14)4-17-5-9(11)15)19-10-2-7(13)3-18-12(10)16/h2-6H,1H3,(H2,16,18)
InChIKeyHFNGRUPZIHOIHT-UHFFFAOYSA-N
MW330.13 g/mol
LogP3.24
Rot. Bonds3

About 5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]pyridin-2-amine

5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]pyridin-2-amine (PubChem CID 170429363) has the molecular formula C12H10BrF2N3O and a molecular weight of 330.13 g/mol. Its IUPAC name is 5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]pyridin-2-amine
PubChem CID170429363
Molecular FormulaC12H10BrF2N3O
Molecular Weight330.13 g/mol
Exact Mass329.00
IUPAC Name5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]pyridin-2-amine
SMILESCC(Oc1cc(Br)cnc1N)c1c(F)cncc1F
InChIInChI=1S/C12H10BrF2N3O/c1-6(11-8(14)4-17-5-9(11)15)19-10-2-7(13)3-18-12(10)16/h2-6H,1H3,(H2,16,18)
InChIKeyHFNGRUPZIHOIHT-UHFFFAOYSA-N
XLogP3.24
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-[(1S)-1-(2,6-difluorophenyl)ethoxy]pyridin-2-amine
CID 164858653
5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]-N-methoxypyridin-2-amine
CID 164859035
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
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-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]pyridin-2-amine
CID 118555269
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-[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
5-bromo-3-[(1R)-1-(2-chlorophenyl)ethoxy]pyridin-2-amine
CID 164858696
5-bromo-3-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethoxy]pyridin-2-amine
CID 164859055

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]pyridin-2-amine?
The IUPAC name of 5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]pyridin-2-amine (CID 170429363) is 5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]pyridin-2-amine is CC(Oc1cc(Br)cnc1N)c1c(F)cncc1F.
What is the InChIKey of 5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]pyridin-2-amine?
The InChIKey is HFNGRUPZIHOIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF2N3O/c1-6(11-8(14)4-17-5-9(11)15)19-10-2-7(13)3-18-12(10)16/h2-6H,1H3,(H2,16,18).
What are the key properties of 5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]pyridin-2-amine?
5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]pyridin-2-amine has a molecular weight of 330.13 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]pyridin-2-amine is sourced from PubChem (CID 170429363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).