N-(1,3-benzodioxol-5-yl)-3-bromo-5-chloropyridin-2-amine

C12H8BrClN2O2 — CID 114836575

IUPACN-(1,3-benzodioxol-5-yl)-3-bromo-5-chloropyridin-2-amine
SMILESClc1cnc(Nc2ccc3c(c2)OCO3)c(Br)c1
InChIInChI=1S/C12H8BrClN2O2/c13-9-3-7(14)5-15-12(9)16-8-1-2-10-11(4-8)18-6-17-10/h1-5H,6H2,(H,15,16)
InChIKeyFGRNJDKOKMYDJL-UHFFFAOYSA-N
MW327.57 g/mol
LogP3.97
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-3-bromo-5-chloropyridin-2-amine

N-(1,3-benzodioxol-5-yl)-3-bromo-5-chloropyridin-2-amine (PubChem CID 114836575) has the molecular formula C12H8BrClN2O2 and a molecular weight of 327.57 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-bromo-5-chloropyridin-2-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-bromo-5-chloropyridin-2-amine
PubChem CID114836575
Molecular FormulaC12H8BrClN2O2
Molecular Weight327.57 g/mol
Exact Mass325.95
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-bromo-5-chloropyridin-2-amine
SMILESClc1cnc(Nc2ccc3c(c2)OCO3)c(Br)c1
InChIInChI=1S/C12H8BrClN2O2/c13-9-3-7(14)5-15-12(9)16-8-1-2-10-11(4-8)18-6-17-10/h1-5H,6H2,(H,15,16)
InChIKeyFGRNJDKOKMYDJL-UHFFFAOYSA-N
XLogP3.97
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.57
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridin-2-amine
CID 114836561
3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyridin-2-amine
CID 84604430
3-bromo-5-chloro-N-(3,5-difluorophenyl)pyridin-2-amine
CID 114836633
3-bromo-5-chloro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 114837087
4-N,6-N-bis(1,3-benzodioxol-5-yl)pyrimidine-4,5,6-triamine
CID 22542016
3-bromo-5-chloro-N-(2,4-dichlorophenyl)pyridin-2-amine
CID 114836558
N-[4-(2-aminoethyl)phenyl]-3-bromo-5-chloropyridin-2-amine
CID 114838670
5-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione
CID 114836563
N-(1,3-benzodioxol-5-yl)-6-chloropyrimidin-4-amine
CID 60727029
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpyridin-2-amine
CID 84604425
N-(1,3-benzodioxol-5-yl)-3,5-dinitropyridin-2-amine
CID 21329304
5-amino-6-(1,3-benzodioxol-5-ylamino)pyridine-3-carboxylic acid
CID 81440039

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-bromo-5-chloropyridin-2-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-bromo-5-chloropyridin-2-amine (CID 114836575) is N-(1,3-benzodioxol-5-yl)-3-bromo-5-chloropyridin-2-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-bromo-5-chloropyridin-2-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-bromo-5-chloropyridin-2-amine is Clc1cnc(Nc2ccc3c(c2)OCO3)c(Br)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-bromo-5-chloropyridin-2-amine?
The InChIKey is FGRNJDKOKMYDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O2/c13-9-3-7(14)5-15-12(9)16-8-1-2-10-11(4-8)18-6-17-10/h1-5H,6H2,(H,15,16).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-bromo-5-chloropyridin-2-amine?
N-(1,3-benzodioxol-5-yl)-3-bromo-5-chloropyridin-2-amine has a molecular weight of 327.57 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-bromo-5-chloropyridin-2-amine is sourced from PubChem (CID 114836575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).