carbon dioxide;4,5-dichloro-6-ethoxypyridin-3-amine

C8H8Cl2N2O3 — CID 160917451

IUPACcarbon dioxide;4,5-dichloro-6-ethoxypyridin-3-amine
SMILESCCOc1ncc(N)c(Cl)c1Cl.O=C=O
InChIInChI=1S/C7H8Cl2N2O.CO2/c1-2-12-7-6(9)5(8)4(10)3-11-7;2-1-3/h3H,2,10H2,1H3;
InChIKeySROZCAZZYCIPAI-UHFFFAOYSA-N
MW251.07 g/mol
LogP1.79
Rot. Bonds2

About carbon dioxide;4,5-dichloro-6-ethoxypyridin-3-amine

carbon dioxide;4,5-dichloro-6-ethoxypyridin-3-amine (PubChem CID 160917451) has the molecular formula C8H8Cl2N2O3 and a molecular weight of 251.07 g/mol. Its IUPAC name is carbon dioxide;4,5-dichloro-6-ethoxypyridin-3-amine.

Molecular Properties

Compound Namecarbon dioxide;4,5-dichloro-6-ethoxypyridin-3-amine
PubChem CID160917451
Molecular FormulaC8H8Cl2N2O3
Molecular Weight251.07 g/mol
Exact Mass249.99
IUPAC Namecarbon dioxide;4,5-dichloro-6-ethoxypyridin-3-amine
SMILESCCOc1ncc(N)c(Cl)c1Cl.O=C=O
InChIInChI=1S/C7H8Cl2N2O.CO2/c1-2-12-7-6(9)5(8)4(10)3-11-7;2-1-3/h3H,2,10H2,1H3;
InChIKeySROZCAZZYCIPAI-UHFFFAOYSA-N
XLogP1.79
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;4,5-dichloro-6-ethoxypyridin-3-amine?
The IUPAC name of carbon dioxide;4,5-dichloro-6-ethoxypyridin-3-amine (CID 160917451) is carbon dioxide;4,5-dichloro-6-ethoxypyridin-3-amine.
What is the SMILES notation for carbon dioxide;4,5-dichloro-6-ethoxypyridin-3-amine?
The canonical SMILES for carbon dioxide;4,5-dichloro-6-ethoxypyridin-3-amine is CCOc1ncc(N)c(Cl)c1Cl.O=C=O.
What is the InChIKey of carbon dioxide;4,5-dichloro-6-ethoxypyridin-3-amine?
The InChIKey is SROZCAZZYCIPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2O.CO2/c1-2-12-7-6(9)5(8)4(10)3-11-7;2-1-3/h3H,2,10H2,1H3;.
What are the key properties of carbon dioxide;4,5-dichloro-6-ethoxypyridin-3-amine?
carbon dioxide;4,5-dichloro-6-ethoxypyridin-3-amine has a molecular weight of 251.07 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;4,5-dichloro-6-ethoxypyridin-3-amine is sourced from PubChem (CID 160917451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).