bis(2-(5-chloro-2-pyridinyl)propan-2-ol);hydrochloride

C16H21Cl3N2O2 — CID 158478724

IUPACbis(2-(5-chloro-2-pyridinyl)propan-2-ol);hydrochloride
SMILESCC(C)(O)c1ccc(Cl)cn1.CC(C)(O)c1ccc(Cl)cn1.Cl
InChIInChI=1S/2C8H10ClNO.ClH/c2*1-8(2,11)7-4-3-6(9)5-10-7;/h2*3-5,11H,1-2H3;1H
InChIKeySNIOQKOMYDQVKK-UHFFFAOYSA-N
MW379.72 g/mol
LogP4.35
Rot. Bonds2

About bis(2-(5-chloro-2-pyridinyl)propan-2-ol);hydrochloride

bis(2-(5-chloro-2-pyridinyl)propan-2-ol);hydrochloride (PubChem CID 158478724) has the molecular formula C16H21Cl3N2O2 and a molecular weight of 379.72 g/mol. Its IUPAC name is bis(2-(5-chloro-2-pyridinyl)propan-2-ol);hydrochloride.

Molecular Properties

Compound Namebis(2-(5-chloro-2-pyridinyl)propan-2-ol);hydrochloride
PubChem CID158478724
Molecular FormulaC16H21Cl3N2O2
Molecular Weight379.72 g/mol
Exact Mass378.07
IUPAC Namebis(2-(5-chloro-2-pyridinyl)propan-2-ol);hydrochloride
SMILESCC(C)(O)c1ccc(Cl)cn1.CC(C)(O)c1ccc(Cl)cn1.Cl
InChIInChI=1S/2C8H10ClNO.ClH/c2*1-8(2,11)7-4-3-6(9)5-10-7;/h2*3-5,11H,1-2H3;1H
InChIKeySNIOQKOMYDQVKK-UHFFFAOYSA-N
XLogP4.35
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.72
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Chlorophenyl)(pyridin-2-yl)methanol
CID 97719
Pirmenol Hydrochloride
CID 65501
Tripyridin-2-ylmethanol
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(+-)-cis-2,6-Dimethyl-alpha-phenyl-alpha-2-pyridyl-1-piperidinebutanol monohydrochloride
CID 76962233
(7R,9S)-7-((4-(2-chlorophenyl)piperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 24894428
1-(3-Chlorophenyl)-1-methyl-2-phenyl-2-(2-pyridine)ethanol
CID 31034
(2Z)-2-Hydroxy-1-(pyridin-2-yl)-2-(pyridin-2(1H)-ylidene)ethan-1-one
CID 135603839
Bis(4-chlorophenyl)(pyridin-2-yl)methanol
CID 18471517
8-Chloro-11-(1-methyl-piperidin-4-yl)-6,11-dihydro-5hbenzo(5,6)cyclohepta(1,2-b)pyridin-11-ol
CID 11961794
2,3-Di(2-pyridyl)-2,3-butanediol
CID 579625
2-Pyridinemethanol, alpha-ethyl-alpha-methyl-
CID 106761
Ethyl 3-(5-chloro-2-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 44369443

Frequently Asked Questions

What is the IUPAC name of bis(2-(5-chloro-2-pyridinyl)propan-2-ol);hydrochloride?
The IUPAC name of bis(2-(5-chloro-2-pyridinyl)propan-2-ol);hydrochloride (CID 158478724) is bis(2-(5-chloro-2-pyridinyl)propan-2-ol);hydrochloride.
What is the SMILES notation for bis(2-(5-chloro-2-pyridinyl)propan-2-ol);hydrochloride?
The canonical SMILES for bis(2-(5-chloro-2-pyridinyl)propan-2-ol);hydrochloride is CC(C)(O)c1ccc(Cl)cn1.CC(C)(O)c1ccc(Cl)cn1.Cl.
What is the InChIKey of bis(2-(5-chloro-2-pyridinyl)propan-2-ol);hydrochloride?
The InChIKey is SNIOQKOMYDQVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10ClNO.ClH/c2*1-8(2,11)7-4-3-6(9)5-10-7;/h2*3-5,11H,1-2H3;1H.
What are the key properties of bis(2-(5-chloro-2-pyridinyl)propan-2-ol);hydrochloride?
bis(2-(5-chloro-2-pyridinyl)propan-2-ol);hydrochloride has a molecular weight of 379.72 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(5-chloro-2-pyridinyl)propan-2-ol);hydrochloride is sourced from PubChem (CID 158478724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).