2-(6-chloro-4-ethyl-8-fluorocinnolin-3-yl)propan-2-ol

C13H14ClFN2O — CID 170742300

IUPAC2-(6-chloro-4-ethyl-8-fluorocinnolin-3-yl)propan-2-ol
SMILESCCc1c(C(C)(C)O)nnc2c(F)cc(Cl)cc12
InChIInChI=1S/C13H14ClFN2O/c1-4-8-9-5-7(14)6-10(15)11(9)16-17-12(8)13(2,3)18/h5-6,18H,4H2,1-3H3
InChIKeyRPKVORCPDJCZCI-UHFFFAOYSA-N
MW268.72 g/mol
LogP3.21
Rot. Bonds2

About 2-(6-chloro-4-ethyl-8-fluorocinnolin-3-yl)propan-2-ol

2-(6-chloro-4-ethyl-8-fluorocinnolin-3-yl)propan-2-ol (PubChem CID 170742300) has the molecular formula C13H14ClFN2O and a molecular weight of 268.72 g/mol. Its IUPAC name is 2-(6-chloro-4-ethyl-8-fluorocinnolin-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(6-chloro-4-ethyl-8-fluorocinnolin-3-yl)propan-2-ol
PubChem CID170742300
Molecular FormulaC13H14ClFN2O
Molecular Weight268.72 g/mol
Exact Mass268.08
IUPAC Name2-(6-chloro-4-ethyl-8-fluorocinnolin-3-yl)propan-2-ol
SMILESCCc1c(C(C)(C)O)nnc2c(F)cc(Cl)cc12
InChIInChI=1S/C13H14ClFN2O/c1-4-8-9-5-7(14)6-10(15)11(9)16-17-12(8)13(2,3)18/h5-6,18H,4H2,1-3H3
InChIKeyRPKVORCPDJCZCI-UHFFFAOYSA-N
XLogP3.21
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-ethyl-8-fluorocinnolin-3-yl)propan-2-ol?
The IUPAC name of 2-(6-chloro-4-ethyl-8-fluorocinnolin-3-yl)propan-2-ol (CID 170742300) is 2-(6-chloro-4-ethyl-8-fluorocinnolin-3-yl)propan-2-ol.
What is the SMILES notation for 2-(6-chloro-4-ethyl-8-fluorocinnolin-3-yl)propan-2-ol?
The canonical SMILES for 2-(6-chloro-4-ethyl-8-fluorocinnolin-3-yl)propan-2-ol is CCc1c(C(C)(C)O)nnc2c(F)cc(Cl)cc12.
What is the InChIKey of 2-(6-chloro-4-ethyl-8-fluorocinnolin-3-yl)propan-2-ol?
The InChIKey is RPKVORCPDJCZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O/c1-4-8-9-5-7(14)6-10(15)11(9)16-17-12(8)13(2,3)18/h5-6,18H,4H2,1-3H3.
What are the key properties of 2-(6-chloro-4-ethyl-8-fluorocinnolin-3-yl)propan-2-ol?
2-(6-chloro-4-ethyl-8-fluorocinnolin-3-yl)propan-2-ol has a molecular weight of 268.72 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-ethyl-8-fluorocinnolin-3-yl)propan-2-ol is sourced from PubChem (CID 170742300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).