5-bromo-N-[4-(difluoromethoxy)phenyl]pyridin-2-amine

C12H9BrF2N2O — CID 61373209

IUPAC5-bromo-N-[4-(difluoromethoxy)phenyl]pyridin-2-amine
SMILESFC(F)Oc1ccc(Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C12H9BrF2N2O/c13-8-1-6-11(16-7-8)17-9-2-4-10(5-3-9)18-12(14)15/h1-7,12H,(H,16,17)
InChIKeyKGAFXWZTJICPMT-UHFFFAOYSA-N
MW315.12 g/mol
LogP4.19
Rot. Bonds4

About 5-bromo-N-[4-(difluoromethoxy)phenyl]pyridin-2-amine

5-bromo-N-[4-(difluoromethoxy)phenyl]pyridin-2-amine (PubChem CID 61373209) has the molecular formula C12H9BrF2N2O and a molecular weight of 315.12 g/mol. Its IUPAC name is 5-bromo-N-[4-(difluoromethoxy)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[4-(difluoromethoxy)phenyl]pyridin-2-amine
PubChem CID61373209
Molecular FormulaC12H9BrF2N2O
Molecular Weight315.12 g/mol
Exact Mass313.99
IUPAC Name5-bromo-N-[4-(difluoromethoxy)phenyl]pyridin-2-amine
SMILESFC(F)Oc1ccc(Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C12H9BrF2N2O/c13-8-1-6-11(16-7-8)17-9-2-4-10(5-3-9)18-12(14)15/h1-7,12H,(H,16,17)
InChIKeyKGAFXWZTJICPMT-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-[4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 62953190
1-(5-bromo-2-pyridinyl)-3-[[4-(difluoromethoxy)phenyl]methyl]thiourea
CID 24741150
5-bromo-N-(6-bromonaphthalen-2-yl)pyridin-2-amine
CID 81260199
5-bromo-N-(6-methoxynaphthalen-2-yl)pyridin-2-amine
CID 115146533
N-(5-bromo-2-pyridinyl)-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 4571725
methyl (2R)-2-[4-[(5-bromo-2-pyridinyl)amino]phenyl]propanoate
CID 125466772
6-N-[4-(difluoromethoxy)phenyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122282177
5-bromo-2-[4-(difluoromethoxy)anilino]benzonitrile
CID 114890441
5-bromo-N-(3-bromophenyl)pyridin-2-amine
CID 61375271
N-(5-bromo-2-pyridinyl)isoquinolin-6-amine
CID 134194515
N-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-amine
CID 106561142
3-[(5-bromo-2-pyridinyl)amino]-1-[3-(difluoromethoxy)phenyl]prop-2-en-1-one
CID 4775877

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(difluoromethoxy)phenyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[4-(difluoromethoxy)phenyl]pyridin-2-amine (CID 61373209) is 5-bromo-N-[4-(difluoromethoxy)phenyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[4-(difluoromethoxy)phenyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[4-(difluoromethoxy)phenyl]pyridin-2-amine is FC(F)Oc1ccc(Nc2ccc(Br)cn2)cc1.
What is the InChIKey of 5-bromo-N-[4-(difluoromethoxy)phenyl]pyridin-2-amine?
The InChIKey is KGAFXWZTJICPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N2O/c13-8-1-6-11(16-7-8)17-9-2-4-10(5-3-9)18-12(14)15/h1-7,12H,(H,16,17).
What are the key properties of 5-bromo-N-[4-(difluoromethoxy)phenyl]pyridin-2-amine?
5-bromo-N-[4-(difluoromethoxy)phenyl]pyridin-2-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-[4-(difluoromethoxy)phenyl]pyridin-2-amine is sourced from PubChem (CID 61373209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).