CID 59017556

C9H11ClN2O2 — CID 59017556

IUPAC—
SMILES[CH]n1c(CCCC)nc(Cl)c1C(=O)O
InChIInChI=1S/C9H11ClN2O2/c1-3-4-5-6-11-8(10)7(9(13)14)12(6)2/h2H,3-5H2,1H3,(H,13,14)
InChIKeyORVXZGTYBBDYEX-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.09
Rot. Bonds4

About CID 59017556

CID 59017556 (PubChem CID 59017556) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol.

Molecular Properties

Compound NameCID 59017556
PubChem CID59017556
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name—
SMILES[CH]n1c(CCCC)nc(Cl)c1C(=O)O
InChIInChI=1S/C9H11ClN2O2/c1-3-4-5-6-11-8(10)7(9(13)14)12(6)2/h2H,3-5H2,1H3,(H,13,14)
InChIKeyORVXZGTYBBDYEX-UHFFFAOYSA-N
XLogP2.09
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59017556?
The IUPAC name of CID 59017556 (CID 59017556) is not available.
What is the SMILES notation for CID 59017556?
The canonical SMILES for CID 59017556 is [CH]n1c(CCCC)nc(Cl)c1C(=O)O.
What is the InChIKey of CID 59017556?
The InChIKey is ORVXZGTYBBDYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-3-4-5-6-11-8(10)7(9(13)14)12(6)2/h2H,3-5H2,1H3,(H,13,14).
What are the key properties of CID 59017556?
CID 59017556 has a molecular weight of 214.65 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59017556 is sourced from PubChem (CID 59017556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).