6-[bis(2-hydroxyethyl)amino]-2-chloro-3-nitrosophenol

C10H13ClN2O4 — CID 54269491

IUPAC6-[bis(2-hydroxyethyl)amino]-2-chloro-3-nitrosophenol
SMILESO=Nc1ccc(N(CCO)CCO)c(O)c1Cl
InChIInChI=1S/C10H13ClN2O4/c11-9-7(12-17)1-2-8(10(9)16)13(3-5-14)4-6-15/h1-2,14-16H,3-6H2
InChIKeyRJDNLFNJKPTUTE-UHFFFAOYSA-N
MW260.68 g/mol
LogP1.23
Rot. Bonds6

About 6-[bis(2-hydroxyethyl)amino]-2-chloro-3-nitrosophenol

6-[bis(2-hydroxyethyl)amino]-2-chloro-3-nitrosophenol (PubChem CID 54269491) has the molecular formula C10H13ClN2O4 and a molecular weight of 260.68 g/mol. Its IUPAC name is 6-[bis(2-hydroxyethyl)amino]-2-chloro-3-nitrosophenol.

Molecular Properties

Compound Name6-[bis(2-hydroxyethyl)amino]-2-chloro-3-nitrosophenol
PubChem CID54269491
Molecular FormulaC10H13ClN2O4
Molecular Weight260.68 g/mol
Exact Mass260.06
IUPAC Name6-[bis(2-hydroxyethyl)amino]-2-chloro-3-nitrosophenol
SMILESO=Nc1ccc(N(CCO)CCO)c(O)c1Cl
InChIInChI=1S/C10H13ClN2O4/c11-9-7(12-17)1-2-8(10(9)16)13(3-5-14)4-6-15/h1-2,14-16H,3-6H2
InChIKeyRJDNLFNJKPTUTE-UHFFFAOYSA-N
XLogP1.23
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[bis(2-hydroxyethyl)amino]-2-chloro-3-nitrosophenol?
The IUPAC name of 6-[bis(2-hydroxyethyl)amino]-2-chloro-3-nitrosophenol (CID 54269491) is 6-[bis(2-hydroxyethyl)amino]-2-chloro-3-nitrosophenol.
What is the SMILES notation for 6-[bis(2-hydroxyethyl)amino]-2-chloro-3-nitrosophenol?
The canonical SMILES for 6-[bis(2-hydroxyethyl)amino]-2-chloro-3-nitrosophenol is O=Nc1ccc(N(CCO)CCO)c(O)c1Cl.
What is the InChIKey of 6-[bis(2-hydroxyethyl)amino]-2-chloro-3-nitrosophenol?
The InChIKey is RJDNLFNJKPTUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O4/c11-9-7(12-17)1-2-8(10(9)16)13(3-5-14)4-6-15/h1-2,14-16H,3-6H2.
What are the key properties of 6-[bis(2-hydroxyethyl)amino]-2-chloro-3-nitrosophenol?
6-[bis(2-hydroxyethyl)amino]-2-chloro-3-nitrosophenol has a molecular weight of 260.68 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(2-hydroxyethyl)amino]-2-chloro-3-nitrosophenol is sourced from PubChem (CID 54269491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).