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

C13H12BrFN2O2 — CID 21111328

IUPAC5-bromo-3-[(3-fluoro-2-methoxyphenyl)methoxy]pyridin-2-amine
SMILESCOc1c(F)cccc1COc1cc(Br)cnc1N
InChIInChI=1S/C13H12BrFN2O2/c1-18-12-8(3-2-4-10(12)15)7-19-11-5-9(14)6-17-13(11)16/h2-6H,7H2,1H3,(H2,16,17)
InChIKeyMKSPAJNRSXRKBQ-UHFFFAOYSA-N
MW327.15 g/mol
LogP3.15
Rot. Bonds4

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

5-bromo-3-[(3-fluoro-2-methoxyphenyl)methoxy]pyridin-2-amine (PubChem CID 21111328) has the molecular formula C13H12BrFN2O2 and a molecular weight of 327.15 g/mol. Its IUPAC name is 5-bromo-3-[(3-fluoro-2-methoxyphenyl)methoxy]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[(3-fluoro-2-methoxyphenyl)methoxy]pyridin-2-amine
PubChem CID21111328
Molecular FormulaC13H12BrFN2O2
Molecular Weight327.15 g/mol
Exact Mass326.01
IUPAC Name5-bromo-3-[(3-fluoro-2-methoxyphenyl)methoxy]pyridin-2-amine
SMILESCOc1c(F)cccc1COc1cc(Br)cnc1N
InChIInChI=1S/C13H12BrFN2O2/c1-18-12-8(3-2-4-10(12)15)7-19-11-5-9(14)6-17-13(11)16/h2-6H,7H2,1H3,(H2,16,17)
InChIKeyMKSPAJNRSXRKBQ-UHFFFAOYSA-N
XLogP3.15
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.15
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-[(2-chloro-6-fluorophenyl)methoxy]pyridin-2-amine
CID 21111493
[4-[6-amino-5-[(3-fluoro-2-methoxyphenyl)methoxy]-3-pyridinyl]phenyl]-(3,5-dimethylpiperazin-1-yl)methanone
CID 21110938
5-bromo-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyridin-2-amine
CID 21111491
5-bromo-3-[(1S)-1-(2,6-difluorophenyl)ethoxy]pyridin-2-amine
CID 164858653
5-bromo-3-[(2,6-dichloro-3-fluorophenyl)methoxy]pyridin-2-amine
CID 21111485
3-[(4-bromo-2-fluorophenyl)methoxy]pyridin-2-amine
CID 43438660
2-[(5-bromo-2-methoxyphenyl)methoxy]-1-(bromomethyl)-3-fluorobenzene
CID 115956804
2-amino-5-bromo-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 62158319
3-[(2,6-difluorophenyl)methoxy]-5-iodopyridin-2-amine
CID 126639458
2-fluoro-5-(isoquinolin-8-ylmethoxy)-4-methoxyaniline
CID 166065965
2-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine
CID 115956836
5-bromo-3-(methoxymethyl)pyridin-2-amine
CID 84682381

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(3-fluoro-2-methoxyphenyl)methoxy]pyridin-2-amine?
The IUPAC name of 5-bromo-3-[(3-fluoro-2-methoxyphenyl)methoxy]pyridin-2-amine (CID 21111328) is 5-bromo-3-[(3-fluoro-2-methoxyphenyl)methoxy]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-[(3-fluoro-2-methoxyphenyl)methoxy]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-[(3-fluoro-2-methoxyphenyl)methoxy]pyridin-2-amine is COc1c(F)cccc1COc1cc(Br)cnc1N.
What is the InChIKey of 5-bromo-3-[(3-fluoro-2-methoxyphenyl)methoxy]pyridin-2-amine?
The InChIKey is MKSPAJNRSXRKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O2/c1-18-12-8(3-2-4-10(12)15)7-19-11-5-9(14)6-17-13(11)16/h2-6H,7H2,1H3,(H2,16,17).
What are the key properties of 5-bromo-3-[(3-fluoro-2-methoxyphenyl)methoxy]pyridin-2-amine?
5-bromo-3-[(3-fluoro-2-methoxyphenyl)methoxy]pyridin-2-amine has a molecular weight of 327.15 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(3-fluoro-2-methoxyphenyl)methoxy]pyridin-2-amine is sourced from PubChem (CID 21111328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).