1-(3-chlorocinnolin-4-yl)ethanol

C10H9ClN2O — CID 134989771

IUPAC1-(3-chlorocinnolin-4-yl)ethanol
SMILESCC(O)c1c(Cl)nnc2ccccc12
InChIInChI=1S/C10H9ClN2O/c1-6(14)9-7-4-2-3-5-8(7)12-13-10(9)11/h2-6,14H,1H3
InChIKeyBVJMTPXURWAYFO-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.34
Rot. Bonds1

About 1-(3-chlorocinnolin-4-yl)ethanol

1-(3-chlorocinnolin-4-yl)ethanol (PubChem CID 134989771) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 1-(3-chlorocinnolin-4-yl)ethanol.

Molecular Properties

Compound Name1-(3-chlorocinnolin-4-yl)ethanol
PubChem CID134989771
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name1-(3-chlorocinnolin-4-yl)ethanol
SMILESCC(O)c1c(Cl)nnc2ccccc12
InChIInChI=1S/C10H9ClN2O/c1-6(14)9-7-4-2-3-5-8(7)12-13-10(9)11/h2-6,14H,1H3
InChIKeyBVJMTPXURWAYFO-UHFFFAOYSA-N
XLogP2.34
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-Trichloro-3-(4-cinnolinyl)-2-propanol
CID 377607
3-[1.2.3.4-Tetrahydroxybutyl]-cinnolin
CID 69552389
1-(4-Chloro-6-fluorocinnolin-3-yl)ethanol
CID 67511359
2-(4-Chloro-6-fluorocinnolin-3-yl)ethanol
CID 67511360
2-(6-Chloro-4-ethyl-8-fluorocinnolin-3-yl)propan-2-ol
CID 170742300
2-(6-Chloro-8-fluoro-4-methylcinnolin-3-yl)propan-2-ol
CID 176206115
2-(4-Chlorocinnolin-3-yl)propan-2-ol
CID 10082303
(4-Chlorocinnolin-3-yl)-phenylmethanol
CID 10890961
(1R,2S,3R)-1-cinnolin-3-ylbutane-1,2,3,4-tetrol
CID 131875042
(3-Chlorocinnolin-4-yl)-phenylmethanol
CID 134914584
Cinnolin-3-yl(phenyl)methanol
CID 177851004
(6-Chloro-3-fluoropyridazin-4-yl)-phenylmethanol
CID 21858541

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorocinnolin-4-yl)ethanol?
The IUPAC name of 1-(3-chlorocinnolin-4-yl)ethanol (CID 134989771) is 1-(3-chlorocinnolin-4-yl)ethanol.
What is the SMILES notation for 1-(3-chlorocinnolin-4-yl)ethanol?
The canonical SMILES for 1-(3-chlorocinnolin-4-yl)ethanol is CC(O)c1c(Cl)nnc2ccccc12.
What is the InChIKey of 1-(3-chlorocinnolin-4-yl)ethanol?
The InChIKey is BVJMTPXURWAYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-6(14)9-7-4-2-3-5-8(7)12-13-10(9)11/h2-6,14H,1H3.
What are the key properties of 1-(3-chlorocinnolin-4-yl)ethanol?
1-(3-chlorocinnolin-4-yl)ethanol has a molecular weight of 208.65 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorocinnolin-4-yl)ethanol is sourced from PubChem (CID 134989771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).