(2,4-dichloro-6-hydroxyphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone

C16H14Cl2N2O2 — CID 155512528

IUPAC(2,4-dichloro-6-hydroxyphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1c(O)cc(Cl)cc1Cl)N1CCC(c2cccnc2)C1
InChIInChI=1S/C16H14Cl2N2O2/c17-12-6-13(18)15(14(21)7-12)16(22)20-5-3-11(9-20)10-2-1-4-19-8-10/h1-2,4,6-8,11,21H,3,5,9H2
InChIKeyIGWXQALKNAOIKO-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.72
Rot. Bonds2

About (2,4-dichloro-6-hydroxyphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone

(2,4-dichloro-6-hydroxyphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone (PubChem CID 155512528) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is (2,4-dichloro-6-hydroxyphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dichloro-6-hydroxyphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
PubChem CID155512528
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name(2,4-dichloro-6-hydroxyphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1c(O)cc(Cl)cc1Cl)N1CCC(c2cccnc2)C1
InChIInChI=1S/C16H14Cl2N2O2/c17-12-6-13(18)15(14(21)7-12)16(22)20-5-3-11(9-20)10-2-1-4-19-8-10/h1-2,4,6-8,11,21H,3,5,9H2
InChIKeyIGWXQALKNAOIKO-UHFFFAOYSA-N
XLogP3.72
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichloro-6-hydroxyphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (2,4-dichloro-6-hydroxyphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone (CID 155512528) is (2,4-dichloro-6-hydroxyphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2,4-dichloro-6-hydroxyphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2,4-dichloro-6-hydroxyphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone is O=C(c1c(O)cc(Cl)cc1Cl)N1CCC(c2cccnc2)C1.
What is the InChIKey of (2,4-dichloro-6-hydroxyphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is IGWXQALKNAOIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c17-12-6-13(18)15(14(21)7-12)16(22)20-5-3-11(9-20)10-2-1-4-19-8-10/h1-2,4,6-8,11,21H,3,5,9H2.
What are the key properties of (2,4-dichloro-6-hydroxyphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
(2,4-dichloro-6-hydroxyphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 337.21 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloro-6-hydroxyphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 155512528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).