5-(5-bromo-2,3-difluorophenoxy)-N-propylpyridin-3-amine

C14H13BrF2N2O — CID 107102609

IUPAC5-(5-bromo-2,3-difluorophenoxy)-N-propylpyridin-3-amine
SMILESCCCNc1cncc(Oc2cc(Br)cc(F)c2F)c1
InChIInChI=1S/C14H13BrF2N2O/c1-2-3-19-10-6-11(8-18-7-10)20-13-5-9(15)4-12(16)14(13)17/h4-8,19H,2-3H2,1H3
InChIKeyFLVJAPIHLOAFAI-UHFFFAOYSA-N
MW343.17 g/mol
LogP4.74
Rot. Bonds5

About 5-(5-bromo-2,3-difluorophenoxy)-N-propylpyridin-3-amine

5-(5-bromo-2,3-difluorophenoxy)-N-propylpyridin-3-amine (PubChem CID 107102609) has the molecular formula C14H13BrF2N2O and a molecular weight of 343.17 g/mol. Its IUPAC name is 5-(5-bromo-2,3-difluorophenoxy)-N-propylpyridin-3-amine.

Molecular Properties

Compound Name5-(5-bromo-2,3-difluorophenoxy)-N-propylpyridin-3-amine
PubChem CID107102609
Molecular FormulaC14H13BrF2N2O
Molecular Weight343.17 g/mol
Exact Mass342.02
IUPAC Name5-(5-bromo-2,3-difluorophenoxy)-N-propylpyridin-3-amine
SMILESCCCNc1cncc(Oc2cc(Br)cc(F)c2F)c1
InChIInChI=1S/C14H13BrF2N2O/c1-2-3-19-10-6-11(8-18-7-10)20-13-5-9(15)4-12(16)14(13)17/h4-8,19H,2-3H2,1H3
InChIKeyFLVJAPIHLOAFAI-UHFFFAOYSA-N
XLogP4.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-[(5-bromo-3-pyridinyl)oxy]-N-propylpyridin-3-amine
CID 104536852
2-fluoro-6-[[5-(propylamino)-3-pyridinyl]oxy]benzonitrile
CID 104536574
5-(2,3-dimethylphenoxy)-N-propylpyridin-3-amine
CID 104536354
5-(2,3-dichlorophenoxy)-N-propylpyridin-3-amine
CID 104536489
5-(3-tert-butylphenoxy)-N-propylpyridin-3-amine
CID 104536558
5-(2-bromo-4-fluorophenoxy)-N-ethylpyridin-3-amine
CID 104536313
5-(4-ethyl-2-methoxyphenoxy)-N-propylpyridin-3-amine
CID 107669663
5-(2-methyl-5-propan-2-ylphenoxy)-N-propylpyridin-3-amine
CID 104536595
5-(2,5-difluorophenoxy)-N-ethylpyridin-3-amine
CID 104536808
5-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyridin-3-amine
CID 116806496
5-butoxy-N-propylpyridin-3-amine
CID 104536219
N-propyl-5-quinolin-5-yloxypyridin-3-amine
CID 103046193

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2,3-difluorophenoxy)-N-propylpyridin-3-amine?
The IUPAC name of 5-(5-bromo-2,3-difluorophenoxy)-N-propylpyridin-3-amine (CID 107102609) is 5-(5-bromo-2,3-difluorophenoxy)-N-propylpyridin-3-amine.
What is the SMILES notation for 5-(5-bromo-2,3-difluorophenoxy)-N-propylpyridin-3-amine?
The canonical SMILES for 5-(5-bromo-2,3-difluorophenoxy)-N-propylpyridin-3-amine is CCCNc1cncc(Oc2cc(Br)cc(F)c2F)c1.
What is the InChIKey of 5-(5-bromo-2,3-difluorophenoxy)-N-propylpyridin-3-amine?
The InChIKey is FLVJAPIHLOAFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF2N2O/c1-2-3-19-10-6-11(8-18-7-10)20-13-5-9(15)4-12(16)14(13)17/h4-8,19H,2-3H2,1H3.
What are the key properties of 5-(5-bromo-2,3-difluorophenoxy)-N-propylpyridin-3-amine?
5-(5-bromo-2,3-difluorophenoxy)-N-propylpyridin-3-amine has a molecular weight of 343.17 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2,3-difluorophenoxy)-N-propylpyridin-3-amine is sourced from PubChem (CID 107102609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).