(4-chloro-1H-pyrrol-2-yl)-(3,5-dichloro-2-methoxyphenyl)methanone

C12H8Cl3NO2 — CID 23659425

IUPAC(4-chloro-1H-pyrrol-2-yl)-(3,5-dichloro-2-methoxyphenyl)methanone
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C12H8Cl3NO2/c1-18-12-8(2-6(13)3-9(12)15)11(17)10-4-7(14)5-16-10/h2-5,16H,1H3
InChIKeySIYLHVLOVZDASY-UHFFFAOYSA-N
MW304.56 g/mol
LogP4.21
Rot. Bonds3

About (4-chloro-1H-pyrrol-2-yl)-(3,5-dichloro-2-methoxyphenyl)methanone

(4-chloro-1H-pyrrol-2-yl)-(3,5-dichloro-2-methoxyphenyl)methanone (PubChem CID 23659425) has the molecular formula C12H8Cl3NO2 and a molecular weight of 304.56 g/mol. Its IUPAC name is (4-chloro-1H-pyrrol-2-yl)-(3,5-dichloro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-1H-pyrrol-2-yl)-(3,5-dichloro-2-methoxyphenyl)methanone
PubChem CID23659425
Molecular FormulaC12H8Cl3NO2
Molecular Weight304.56 g/mol
Exact Mass302.96
IUPAC Name(4-chloro-1H-pyrrol-2-yl)-(3,5-dichloro-2-methoxyphenyl)methanone
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C12H8Cl3NO2/c1-18-12-8(2-6(13)3-9(12)15)11(17)10-4-7(14)5-16-10/h2-5,16H,1H3
InChIKeySIYLHVLOVZDASY-UHFFFAOYSA-N
XLogP4.21
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.56
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-pyrrol-2-yl)-(3,5-dichloro-2-methoxyphenyl)methanone?
The IUPAC name of (4-chloro-1H-pyrrol-2-yl)-(3,5-dichloro-2-methoxyphenyl)methanone (CID 23659425) is (4-chloro-1H-pyrrol-2-yl)-(3,5-dichloro-2-methoxyphenyl)methanone.
What is the SMILES notation for (4-chloro-1H-pyrrol-2-yl)-(3,5-dichloro-2-methoxyphenyl)methanone?
The canonical SMILES for (4-chloro-1H-pyrrol-2-yl)-(3,5-dichloro-2-methoxyphenyl)methanone is COc1c(Cl)cc(Cl)cc1C(=O)c1cc(Cl)c[nH]1.
What is the InChIKey of (4-chloro-1H-pyrrol-2-yl)-(3,5-dichloro-2-methoxyphenyl)methanone?
The InChIKey is SIYLHVLOVZDASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3NO2/c1-18-12-8(2-6(13)3-9(12)15)11(17)10-4-7(14)5-16-10/h2-5,16H,1H3.
What are the key properties of (4-chloro-1H-pyrrol-2-yl)-(3,5-dichloro-2-methoxyphenyl)methanone?
(4-chloro-1H-pyrrol-2-yl)-(3,5-dichloro-2-methoxyphenyl)methanone has a molecular weight of 304.56 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-pyrrol-2-yl)-(3,5-dichloro-2-methoxyphenyl)methanone is sourced from PubChem (CID 23659425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).