3-[(4-bromo-2-fluorophenyl)methoxy]pyridin-2-amine

C12H10BrFN2O — CID 43438660

IUPAC3-[(4-bromo-2-fluorophenyl)methoxy]pyridin-2-amine
SMILESNc1ncccc1OCc1ccc(Br)cc1F
InChIInChI=1S/C12H10BrFN2O/c13-9-4-3-8(10(14)6-9)7-17-11-2-1-5-16-12(11)15/h1-6H,7H2,(H2,15,16)
InChIKeyNEMSAMUFUVQKDJ-UHFFFAOYSA-N
MW297.13 g/mol
LogP3.14
Rot. Bonds3

About 3-[(4-bromo-2-fluorophenyl)methoxy]pyridin-2-amine

3-[(4-bromo-2-fluorophenyl)methoxy]pyridin-2-amine (PubChem CID 43438660) has the molecular formula C12H10BrFN2O and a molecular weight of 297.13 g/mol. Its IUPAC name is 3-[(4-bromo-2-fluorophenyl)methoxy]pyridin-2-amine.

Molecular Properties

Compound Name3-[(4-bromo-2-fluorophenyl)methoxy]pyridin-2-amine
PubChem CID43438660
Molecular FormulaC12H10BrFN2O
Molecular Weight297.13 g/mol
Exact Mass296.00
IUPAC Name3-[(4-bromo-2-fluorophenyl)methoxy]pyridin-2-amine
SMILESNc1ncccc1OCc1ccc(Br)cc1F
InChIInChI=1S/C12H10BrFN2O/c13-9-4-3-8(10(14)6-9)7-17-11-2-1-5-16-12(11)15/h1-6H,7H2,(H2,15,16)
InChIKeyNEMSAMUFUVQKDJ-UHFFFAOYSA-N
XLogP3.14
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-fluoro-2-methylphenyl)methoxy]pyridin-2-amine
CID 114345632
4-[(4-bromo-2-fluorophenyl)methoxy]-3-fluoroaniline
CID 43381966
2-[(4-bromo-2-fluorophenyl)methoxy]benzamide
CID 7640045
3-[(3,4-difluorophenyl)methoxy]pyridin-2-amine
CID 10331655
2-[2-[(4-bromo-2-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321633
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]pyrimidine
CID 47095311
3-[(2-fluorophenoxy)methyl]pyridin-2-amine
CID 62464415
1-[(4-bromo-2-fluorophenyl)methoxy]-2-(bromomethyl)-3-chlorobenzene
CID 113276980
4-bromo-2-fluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 55027056
3-[(2,3-difluorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine
CID 162141376
4-amino-3-[(4-bromo-2-fluorophenyl)methoxy]benzoic acid
CID 43438829
3-fluoro-4-(quinolin-5-yloxymethyl)aniline
CID 103044079

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-2-fluorophenyl)methoxy]pyridin-2-amine?
The IUPAC name of 3-[(4-bromo-2-fluorophenyl)methoxy]pyridin-2-amine (CID 43438660) is 3-[(4-bromo-2-fluorophenyl)methoxy]pyridin-2-amine.
What is the SMILES notation for 3-[(4-bromo-2-fluorophenyl)methoxy]pyridin-2-amine?
The canonical SMILES for 3-[(4-bromo-2-fluorophenyl)methoxy]pyridin-2-amine is Nc1ncccc1OCc1ccc(Br)cc1F.
What is the InChIKey of 3-[(4-bromo-2-fluorophenyl)methoxy]pyridin-2-amine?
The InChIKey is NEMSAMUFUVQKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c13-9-4-3-8(10(14)6-9)7-17-11-2-1-5-16-12(11)15/h1-6H,7H2,(H2,15,16).
What are the key properties of 3-[(4-bromo-2-fluorophenyl)methoxy]pyridin-2-amine?
3-[(4-bromo-2-fluorophenyl)methoxy]pyridin-2-amine has a molecular weight of 297.13 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-2-fluorophenyl)methoxy]pyridin-2-amine is sourced from PubChem (CID 43438660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).