5-bromo-3-[(2,6-dichloro-3-fluorophenyl)methoxy]pyridin-2-amine

C12H8BrCl2FN2O — CID 21111485

IUPAC5-bromo-3-[(2,6-dichloro-3-fluorophenyl)methoxy]pyridin-2-amine
SMILESNc1ncc(Br)cc1OCc1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C12H8BrCl2FN2O/c13-6-3-10(12(17)18-4-6)19-5-7-8(14)1-2-9(16)11(7)15/h1-4H,5H2,(H2,17,18)
InChIKeyKFBVKSXSXBYYBA-UHFFFAOYSA-N
MW366.02 g/mol
LogP4.45
Rot. Bonds3

About 5-bromo-3-[(2,6-dichloro-3-fluorophenyl)methoxy]pyridin-2-amine

5-bromo-3-[(2,6-dichloro-3-fluorophenyl)methoxy]pyridin-2-amine (PubChem CID 21111485) has the molecular formula C12H8BrCl2FN2O and a molecular weight of 366.02 g/mol. Its IUPAC name is 5-bromo-3-[(2,6-dichloro-3-fluorophenyl)methoxy]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[(2,6-dichloro-3-fluorophenyl)methoxy]pyridin-2-amine
PubChem CID21111485
Molecular FormulaC12H8BrCl2FN2O
Molecular Weight366.02 g/mol
Exact Mass363.92
IUPAC Name5-bromo-3-[(2,6-dichloro-3-fluorophenyl)methoxy]pyridin-2-amine
SMILESNc1ncc(Br)cc1OCc1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C12H8BrCl2FN2O/c13-6-3-10(12(17)18-4-6)19-5-7-8(14)1-2-9(16)11(7)15/h1-4H,5H2,(H2,17,18)
InChIKeyKFBVKSXSXBYYBA-UHFFFAOYSA-N
XLogP4.45
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.02
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyridin-2-amine
CID 21111491
5-bromo-3-[(2-chloro-6-fluorophenyl)methoxy]pyridin-2-amine
CID 21111493
5-bromo-3-[2-(2,5-dichlorophenyl)ethoxy]pyridin-2-amine
CID 90205672
3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-pyridin-3-ylpyridin-2-amine
CID 21110961
5-bromo-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine
CID 67520767
5-bromo-3-[(3-fluoro-2-methoxyphenyl)methoxy]pyridin-2-amine
CID 21111328
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-[(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
7-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-hydroxyheptanamide
CID 175342332
(3S)-3-[2-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]ethynyl]pyrrolidin-3-ol
CID 90014738
2-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenol
CID 10451208

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(2,6-dichloro-3-fluorophenyl)methoxy]pyridin-2-amine?
The IUPAC name of 5-bromo-3-[(2,6-dichloro-3-fluorophenyl)methoxy]pyridin-2-amine (CID 21111485) is 5-bromo-3-[(2,6-dichloro-3-fluorophenyl)methoxy]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-[(2,6-dichloro-3-fluorophenyl)methoxy]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-[(2,6-dichloro-3-fluorophenyl)methoxy]pyridin-2-amine is Nc1ncc(Br)cc1OCc1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 5-bromo-3-[(2,6-dichloro-3-fluorophenyl)methoxy]pyridin-2-amine?
The InChIKey is KFBVKSXSXBYYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2FN2O/c13-6-3-10(12(17)18-4-6)19-5-7-8(14)1-2-9(16)11(7)15/h1-4H,5H2,(H2,17,18).
What are the key properties of 5-bromo-3-[(2,6-dichloro-3-fluorophenyl)methoxy]pyridin-2-amine?
5-bromo-3-[(2,6-dichloro-3-fluorophenyl)methoxy]pyridin-2-amine has a molecular weight of 366.02 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(2,6-dichloro-3-fluorophenyl)methoxy]pyridin-2-amine is sourced from PubChem (CID 21111485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).