5-bromo-N-[2-(difluoromethoxy)phenyl]pyridin-3-amine

C12H9BrF2N2O — CID 104531433

IUPAC5-bromo-N-[2-(difluoromethoxy)phenyl]pyridin-3-amine
SMILESFC(F)Oc1ccccc1Nc1cncc(Br)c1
InChIInChI=1S/C12H9BrF2N2O/c13-8-5-9(7-16-6-8)17-10-3-1-2-4-11(10)18-12(14)15/h1-7,12,17H
InChIKeyNLKYJOLDCYMDOK-UHFFFAOYSA-N
MW315.12 g/mol
LogP4.19
Rot. Bonds4

About 5-bromo-N-[2-(difluoromethoxy)phenyl]pyridin-3-amine

5-bromo-N-[2-(difluoromethoxy)phenyl]pyridin-3-amine (PubChem CID 104531433) has the molecular formula C12H9BrF2N2O and a molecular weight of 315.12 g/mol. Its IUPAC name is 5-bromo-N-[2-(difluoromethoxy)phenyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(difluoromethoxy)phenyl]pyridin-3-amine
PubChem CID104531433
Molecular FormulaC12H9BrF2N2O
Molecular Weight315.12 g/mol
Exact Mass313.99
IUPAC Name5-bromo-N-[2-(difluoromethoxy)phenyl]pyridin-3-amine
SMILESFC(F)Oc1ccccc1Nc1cncc(Br)c1
InChIInChI=1S/C12H9BrF2N2O/c13-8-5-9(7-16-6-8)17-10-3-1-2-4-11(10)18-12(14)15/h1-7,12,17H
InChIKeyNLKYJOLDCYMDOK-UHFFFAOYSA-N
XLogP4.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-naphthalen-1-ylpyridin-3-amine
CID 113423538
5-bromo-N-(2-phenylphenyl)pyridin-3-amine
CID 104531475
6-bromo-N-[2-(difluoromethoxy)phenyl]-1,3-benzothiazol-2-amine
CID 79524981
N-(2-benzylphenyl)-5-bromopyridin-3-amine
CID 104531485
5-bromo-2-[2-(difluoromethoxy)anilino]benzonitrile
CID 114890442
2-N-[2-(difluoromethoxy)phenyl]-4-methylpyridine-2,5-diamine
CID 79172716
3-[2-(difluoromethoxy)anilino]benzonitrile
CID 102815274
1-N-(5-bromo-3-pyridinyl)-2-(difluoromethyl)benzene-1,4-diamine
CID 114222223
5-bromo-N-(2,5-dibromophenyl)pyridin-3-amine
CID 104531609
N-[(5-bromo-3-pyridinyl)methyl]-1-[2-(difluoromethoxy)phenyl]ethanamine
CID 115900140
5-bromo-N-(3-phenoxyphenyl)pyridin-3-amine
CID 104531681
N-(5-bromo-3-pyridinyl)isoquinolin-8-amine
CID 104531874

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(difluoromethoxy)phenyl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[2-(difluoromethoxy)phenyl]pyridin-3-amine (CID 104531433) is 5-bromo-N-[2-(difluoromethoxy)phenyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[2-(difluoromethoxy)phenyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[2-(difluoromethoxy)phenyl]pyridin-3-amine is FC(F)Oc1ccccc1Nc1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-(difluoromethoxy)phenyl]pyridin-3-amine?
The InChIKey is NLKYJOLDCYMDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N2O/c13-8-5-9(7-16-6-8)17-10-3-1-2-4-11(10)18-12(14)15/h1-7,12,17H.
What are the key properties of 5-bromo-N-[2-(difluoromethoxy)phenyl]pyridin-3-amine?
5-bromo-N-[2-(difluoromethoxy)phenyl]pyridin-3-amine has a molecular weight of 315.12 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(difluoromethoxy)phenyl]pyridin-3-amine is sourced from PubChem (CID 104531433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).