3-bromo-N,6-dimethyl-5-nitrosopyridin-2-amine

C7H8BrN3O — CID 144829759

IUPAC3-bromo-N,6-dimethyl-5-nitrosopyridin-2-amine
SMILESCNc1nc(C)c(N=O)cc1Br
InChIInChI=1S/C7H8BrN3O/c1-4-6(11-12)3-5(8)7(9-2)10-4/h3H,1-2H3,(H,9,10)
InChIKeyXBMILADNWBOLPM-UHFFFAOYSA-N
MW230.06 g/mol
LogP2.59
Rot. Bonds2

About 3-bromo-N,6-dimethyl-5-nitrosopyridin-2-amine

3-bromo-N,6-dimethyl-5-nitrosopyridin-2-amine (PubChem CID 144829759) has the molecular formula C7H8BrN3O and a molecular weight of 230.06 g/mol. Its IUPAC name is 3-bromo-N,6-dimethyl-5-nitrosopyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N,6-dimethyl-5-nitrosopyridin-2-amine
PubChem CID144829759
Molecular FormulaC7H8BrN3O
Molecular Weight230.06 g/mol
Exact Mass228.99
IUPAC Name3-bromo-N,6-dimethyl-5-nitrosopyridin-2-amine
SMILESCNc1nc(C)c(N=O)cc1Br
InChIInChI=1S/C7H8BrN3O/c1-4-6(11-12)3-5(8)7(9-2)10-4/h3H,1-2H3,(H,9,10)
InChIKeyXBMILADNWBOLPM-UHFFFAOYSA-N
XLogP2.59
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,6-dimethyl-5-nitrosopyridin-2-amine?
The IUPAC name of 3-bromo-N,6-dimethyl-5-nitrosopyridin-2-amine (CID 144829759) is 3-bromo-N,6-dimethyl-5-nitrosopyridin-2-amine.
What is the SMILES notation for 3-bromo-N,6-dimethyl-5-nitrosopyridin-2-amine?
The canonical SMILES for 3-bromo-N,6-dimethyl-5-nitrosopyridin-2-amine is CNc1nc(C)c(N=O)cc1Br.
What is the InChIKey of 3-bromo-N,6-dimethyl-5-nitrosopyridin-2-amine?
The InChIKey is XBMILADNWBOLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O/c1-4-6(11-12)3-5(8)7(9-2)10-4/h3H,1-2H3,(H,9,10).
What are the key properties of 3-bromo-N,6-dimethyl-5-nitrosopyridin-2-amine?
3-bromo-N,6-dimethyl-5-nitrosopyridin-2-amine has a molecular weight of 230.06 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,6-dimethyl-5-nitrosopyridin-2-amine is sourced from PubChem (CID 144829759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).