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

C13H12BrF2N3O2 — CID 164859035

IUPAC5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]-N-methoxypyridin-2-amine
SMILESCONc1ncc(Br)cc1OC(C)c1c(F)cncc1F
InChIInChI=1S/C13H12BrF2N3O2/c1-7(12-9(15)5-17-6-10(12)16)21-11-3-8(14)4-18-13(11)19-20-2/h3-7H,1-2H3,(H,18,19)
InChIKeyWJUXTNJNIJRQRW-UHFFFAOYSA-N
MW360.16 g/mol
LogP3.63
Rot. Bonds5

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

5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]-N-methoxypyridin-2-amine (PubChem CID 164859035) has the molecular formula C13H12BrF2N3O2 and a molecular weight of 360.16 g/mol. Its IUPAC name is 5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]-N-methoxypyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]-N-methoxypyridin-2-amine
PubChem CID164859035
Molecular FormulaC13H12BrF2N3O2
Molecular Weight360.16 g/mol
Exact Mass359.01
IUPAC Name5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]-N-methoxypyridin-2-amine
SMILESCONc1ncc(Br)cc1OC(C)c1c(F)cncc1F
InChIInChI=1S/C13H12BrF2N3O2/c1-7(12-9(15)5-17-6-10(12)16)21-11-3-8(14)4-18-13(11)19-20-2/h3-7H,1-2H3,(H,18,19)
InChIKeyWJUXTNJNIJRQRW-UHFFFAOYSA-N
XLogP3.63
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.16
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]pyridin-2-amine
CID 170429363
5-bromo-3-[(1S)-1-(2,6-difluorophenyl)ethoxy]pyridin-2-amine
CID 164858653
pentyl N-[5-bromo-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-pyridinyl]carbamate
CID 141457251
[5-bromo-3-(1-pyridin-3-ylethoxy)-2-pyridinyl]-methoxyazanium
CID 164859234
5-bromo-2-(bromomethyl)-3-methoxypyridine
CID 130777672
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-2-nitro-3-[(1R)-1-pyridin-4-ylethoxy]pyridine
CID 164859228
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
3-bromo-5-fluoro-4-(1-fluoroethyl)pyridine
CID 168937466
5-bromo-3-fluoro-N-(3-propan-2-yloxybutyl)pyridin-2-amine
CID 146237825
5-bromo-3-[1-(2-methoxyphenyl)ethoxy]pyridin-2-amine
CID 170429337

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]-N-methoxypyridin-2-amine?
The IUPAC name of 5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]-N-methoxypyridin-2-amine (CID 164859035) is 5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]-N-methoxypyridin-2-amine.
What is the SMILES notation for 5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]-N-methoxypyridin-2-amine?
The canonical SMILES for 5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]-N-methoxypyridin-2-amine is CONc1ncc(Br)cc1OC(C)c1c(F)cncc1F.
What is the InChIKey of 5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]-N-methoxypyridin-2-amine?
The InChIKey is WJUXTNJNIJRQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF2N3O2/c1-7(12-9(15)5-17-6-10(12)16)21-11-3-8(14)4-18-13(11)19-20-2/h3-7H,1-2H3,(H,18,19).
What are the key properties of 5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]-N-methoxypyridin-2-amine?
5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]-N-methoxypyridin-2-amine has a molecular weight of 360.16 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]-N-methoxypyridin-2-amine is sourced from PubChem (CID 164859035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).