4-bromo-3-(pyridin-3-ylmethoxy)aniline

C12H11BrN2O — CID 103009337

IUPAC4-bromo-3-(pyridin-3-ylmethoxy)aniline
SMILESNc1ccc(Br)c(OCc2cccnc2)c1
InChIInChI=1S/C12H11BrN2O/c13-11-4-3-10(14)6-12(11)16-8-9-2-1-5-15-7-9/h1-7H,8,14H2
InChIKeyKOKPEWKKSKWBDR-UHFFFAOYSA-N
MW279.14 g/mol
LogP3.01
Rot. Bonds3

About 4-bromo-3-(pyridin-3-ylmethoxy)aniline

4-bromo-3-(pyridin-3-ylmethoxy)aniline (PubChem CID 103009337) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 4-bromo-3-(pyridin-3-ylmethoxy)aniline.

Molecular Properties

Compound Name4-bromo-3-(pyridin-3-ylmethoxy)aniline
PubChem CID103009337
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name4-bromo-3-(pyridin-3-ylmethoxy)aniline
SMILESNc1ccc(Br)c(OCc2cccnc2)c1
InChIInChI=1S/C12H11BrN2O/c13-11-4-3-10(14)6-12(11)16-8-9-2-1-5-15-7-9/h1-7H,8,14H2
InChIKeyKOKPEWKKSKWBDR-UHFFFAOYSA-N
XLogP3.01
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(pyridin-3-ylmethoxy)benzene-1,3-diamine
CID 89082993
4-bromo-3-[(3-fluorophenyl)methoxy]aniline
CID 103008828
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
4-[4-(pyridin-3-ylmethoxy)phenoxy]benzene-1,3-diamine
CID 89083027
4,5-dichloro-2-(pyridin-3-ylmethoxy)aniline
CID 107498882
[3,5-dibromo-4-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 107741287
4-bromo-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 103009232
4-fluoro-2-(pyridin-3-ylmethoxy)aniline
CID 16773987
3,5-dimethyl-4-(pyridin-3-ylmethoxy)aniline
CID 63690803
4-bromo-3-[(4-tert-butylphenyl)methoxy]aniline
CID 103009139
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
4-bromo-3-(2,3-dihydro-1H-inden-5-ylmethoxy)aniline
CID 103008604

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(pyridin-3-ylmethoxy)aniline?
The IUPAC name of 4-bromo-3-(pyridin-3-ylmethoxy)aniline (CID 103009337) is 4-bromo-3-(pyridin-3-ylmethoxy)aniline.
What is the SMILES notation for 4-bromo-3-(pyridin-3-ylmethoxy)aniline?
The canonical SMILES for 4-bromo-3-(pyridin-3-ylmethoxy)aniline is Nc1ccc(Br)c(OCc2cccnc2)c1.
What is the InChIKey of 4-bromo-3-(pyridin-3-ylmethoxy)aniline?
The InChIKey is KOKPEWKKSKWBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c13-11-4-3-10(14)6-12(11)16-8-9-2-1-5-15-7-9/h1-7H,8,14H2.
What are the key properties of 4-bromo-3-(pyridin-3-ylmethoxy)aniline?
4-bromo-3-(pyridin-3-ylmethoxy)aniline has a molecular weight of 279.14 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(pyridin-3-ylmethoxy)aniline is sourced from PubChem (CID 103009337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).