2-[4-(1,3-benzodioxol-5-yl)-6-(ethylamino)-2-pyridinyl]-4-chlorophenol

C20H17ClN2O3 — CID 137307190

IUPAC2-[4-(1,3-benzodioxol-5-yl)-6-(ethylamino)-2-pyridinyl]-4-chlorophenol
SMILESCCNc1cc(-c2ccc3c(c2)OCO3)cc(-c2cc(Cl)ccc2O)n1
InChIInChI=1S/C20H17ClN2O3/c1-2-22-20-9-13(12-3-6-18-19(8-12)26-11-25-18)7-16(23-20)15-10-14(21)4-5-17(15)24/h3-10,24H,2,11H2,1H3,(H,22,23)
InChIKeyDYFBBDKUZJPCIH-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.94
Rot. Bonds4

About 2-[4-(1,3-benzodioxol-5-yl)-6-(ethylamino)-2-pyridinyl]-4-chlorophenol

2-[4-(1,3-benzodioxol-5-yl)-6-(ethylamino)-2-pyridinyl]-4-chlorophenol (PubChem CID 137307190) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is 2-[4-(1,3-benzodioxol-5-yl)-6-(ethylamino)-2-pyridinyl]-4-chlorophenol.

Molecular Properties

Compound Name2-[4-(1,3-benzodioxol-5-yl)-6-(ethylamino)-2-pyridinyl]-4-chlorophenol
PubChem CID137307190
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC Name2-[4-(1,3-benzodioxol-5-yl)-6-(ethylamino)-2-pyridinyl]-4-chlorophenol
SMILESCCNc1cc(-c2ccc3c(c2)OCO3)cc(-c2cc(Cl)ccc2O)n1
InChIInChI=1S/C20H17ClN2O3/c1-2-22-20-9-13(12-3-6-18-19(8-12)26-11-25-18)7-16(23-20)15-10-14(21)4-5-17(15)24/h3-10,24H,2,11H2,1H3,(H,22,23)
InChIKeyDYFBBDKUZJPCIH-UHFFFAOYSA-N
XLogP4.94
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1,3-benzodioxol-5-yl)-6-[2-(1-methylpyrrolidin-2-yl)ethylamino]-2-pyridinyl]-4-chlorophenol
CID 137307213
2-[4-(1,3-benzodioxol-4-yl)-6-(3-hydroxypropylamino)-2-pyridinyl]-4-chlorophenol
CID 137307258
2-[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-4-chlorophenol
CID 84564796
4-(1,3-benzodioxol-5-yl)-2-chlorophenol
CID 39232296
4-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-(4-chlorophenyl)pyridine
CID 102071898
4-(1,3-benzodioxol-5-yl)benzene-1,2-diol
CID 141023999
2-[4-(2,3-difluorophenyl)-6-(ethylamino)-2-pyridinyl]phenol
CID 137306707
4-(1,3-benzodioxol-5-yl)-5-(2-chloropyrimidin-4-yl)-N-ethyl-1,3-thiazol-2-amine
CID 58377216
5-chloro-1,3-benzodioxole;propanoic acid
CID 67761834
N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-methylquinolin-2-amine
CID 23931420
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,6-diethylpyrimidin-4-amine
CID 62201527
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)acetamide
CID 16911259

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-6-(ethylamino)-2-pyridinyl]-4-chlorophenol?
The IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-6-(ethylamino)-2-pyridinyl]-4-chlorophenol (CID 137307190) is 2-[4-(1,3-benzodioxol-5-yl)-6-(ethylamino)-2-pyridinyl]-4-chlorophenol.
What is the SMILES notation for 2-[4-(1,3-benzodioxol-5-yl)-6-(ethylamino)-2-pyridinyl]-4-chlorophenol?
The canonical SMILES for 2-[4-(1,3-benzodioxol-5-yl)-6-(ethylamino)-2-pyridinyl]-4-chlorophenol is CCNc1cc(-c2ccc3c(c2)OCO3)cc(-c2cc(Cl)ccc2O)n1.
What is the InChIKey of 2-[4-(1,3-benzodioxol-5-yl)-6-(ethylamino)-2-pyridinyl]-4-chlorophenol?
The InChIKey is DYFBBDKUZJPCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c1-2-22-20-9-13(12-3-6-18-19(8-12)26-11-25-18)7-16(23-20)15-10-14(21)4-5-17(15)24/h3-10,24H,2,11H2,1H3,(H,22,23).
What are the key properties of 2-[4-(1,3-benzodioxol-5-yl)-6-(ethylamino)-2-pyridinyl]-4-chlorophenol?
2-[4-(1,3-benzodioxol-5-yl)-6-(ethylamino)-2-pyridinyl]-4-chlorophenol has a molecular weight of 368.82 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzodioxol-5-yl)-6-(ethylamino)-2-pyridinyl]-4-chlorophenol is sourced from PubChem (CID 137307190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).