5-bromo-2-[(3-methoxyphenyl)methoxy]pyridin-3-amine

C13H13BrN2O2 — CID 61227713

IUPAC5-bromo-2-[(3-methoxyphenyl)methoxy]pyridin-3-amine
SMILESCOc1cccc(COc2ncc(Br)cc2N)c1
InChIInChI=1S/C13H13BrN2O2/c1-17-11-4-2-3-9(5-11)8-18-13-12(15)6-10(14)7-16-13/h2-7H,8,15H2,1H3
InChIKeyKKHHJIRXGMFOQD-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.01
Rot. Bonds4

About 5-bromo-2-[(3-methoxyphenyl)methoxy]pyridin-3-amine

5-bromo-2-[(3-methoxyphenyl)methoxy]pyridin-3-amine (PubChem CID 61227713) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 5-bromo-2-[(3-methoxyphenyl)methoxy]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-2-[(3-methoxyphenyl)methoxy]pyridin-3-amine
PubChem CID61227713
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name5-bromo-2-[(3-methoxyphenyl)methoxy]pyridin-3-amine
SMILESCOc1cccc(COc2ncc(Br)cc2N)c1
InChIInChI=1S/C13H13BrN2O2/c1-17-11-4-2-3-9(5-11)8-18-13-12(15)6-10(14)7-16-13/h2-7H,8,15H2,1H3
InChIKeyKKHHJIRXGMFOQD-UHFFFAOYSA-N
XLogP3.01
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methoxyphenyl)methoxy]pyridin-3-amine
CID 24708484
[5-bromo-4-[(3-methoxyphenyl)methoxy]pyrimidin-2-yl]hydrazine
CID 80914039
3-[(3-methoxyphenyl)methoxy]quinoxalin-2-amine
CID 102987596
1-[3-amino-5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanone
CID 116541394
4-[(3-methoxyphenyl)methoxy]benzene-1,2-diamine
CID 69307184
2-[(3-methoxyphenyl)methoxy]-1,3-thiazol-5-amine
CID 102769354
3-bromo-5-[(3-methoxyphenyl)methoxymethyl]pyridine
CID 113455706
5-bromo-2-(3,5-dimethoxyphenoxy)pyridin-3-amine
CID 61227912
5-bromo-4-[(3-methoxyphenyl)methoxy]-1H-pyrimidin-6-one
CID 114675867
3-bromo-5-fluoro-2-[(3-methoxyphenyl)methoxy]aniline
CID 43379359
5-bromo-2-(2,6-dimethoxyphenoxy)pyridin-3-amine
CID 61227895
5-bromo-2-(furan-2-ylmethoxy)pyridin-3-amine
CID 61227703

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3-methoxyphenyl)methoxy]pyridin-3-amine?
The IUPAC name of 5-bromo-2-[(3-methoxyphenyl)methoxy]pyridin-3-amine (CID 61227713) is 5-bromo-2-[(3-methoxyphenyl)methoxy]pyridin-3-amine.
What is the SMILES notation for 5-bromo-2-[(3-methoxyphenyl)methoxy]pyridin-3-amine?
The canonical SMILES for 5-bromo-2-[(3-methoxyphenyl)methoxy]pyridin-3-amine is COc1cccc(COc2ncc(Br)cc2N)c1.
What is the InChIKey of 5-bromo-2-[(3-methoxyphenyl)methoxy]pyridin-3-amine?
The InChIKey is KKHHJIRXGMFOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-17-11-4-2-3-9(5-11)8-18-13-12(15)6-10(14)7-16-13/h2-7H,8,15H2,1H3.
What are the key properties of 5-bromo-2-[(3-methoxyphenyl)methoxy]pyridin-3-amine?
5-bromo-2-[(3-methoxyphenyl)methoxy]pyridin-3-amine has a molecular weight of 309.16 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3-methoxyphenyl)methoxy]pyridin-3-amine is sourced from PubChem (CID 61227713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).