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

C13H11BrF2N2O — CID 43756632

IUPACN-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]pyridin-3-amine
SMILESFC(F)Oc1ccc(Br)cc1CNc1cccnc1
InChIInChI=1S/C13H11BrF2N2O/c14-10-3-4-12(19-13(15)16)9(6-10)7-18-11-2-1-5-17-8-11/h1-6,8,13,18H,7H2
InChIKeyVVNWSSBVQDBKFK-UHFFFAOYSA-N
MW329.14 g/mol
LogP4.06
Rot. Bonds5

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

N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]pyridin-3-amine (PubChem CID 43756632) has the molecular formula C13H11BrF2N2O and a molecular weight of 329.14 g/mol. Its IUPAC name is N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]pyridin-3-amine
PubChem CID43756632
Molecular FormulaC13H11BrF2N2O
Molecular Weight329.14 g/mol
Exact Mass328.00
IUPAC NameN-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]pyridin-3-amine
SMILESFC(F)Oc1ccc(Br)cc1CNc1cccnc1
InChIInChI=1S/C13H11BrF2N2O/c14-10-3-4-12(19-13(15)16)9(6-10)7-18-11-2-1-5-17-8-11/h1-6,8,13,18H,7H2
InChIKeyVVNWSSBVQDBKFK-UHFFFAOYSA-N
XLogP4.06
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]pyridin-3-amine?
The IUPAC name of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]pyridin-3-amine (CID 43756632) is N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]pyridin-3-amine.
What is the SMILES notation for N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]pyridin-3-amine?
The canonical SMILES for N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]pyridin-3-amine is FC(F)Oc1ccc(Br)cc1CNc1cccnc1.
What is the InChIKey of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]pyridin-3-amine?
The InChIKey is VVNWSSBVQDBKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2N2O/c14-10-3-4-12(19-13(15)16)9(6-10)7-18-11-2-1-5-17-8-11/h1-6,8,13,18H,7H2.
What are the key properties of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]pyridin-3-amine?
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]pyridin-3-amine has a molecular weight of 329.14 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]pyridin-3-amine is sourced from PubChem (CID 43756632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).