3-chloro-2,4,5-trimethyl-1H-pyrrole

C7H10ClN — CID 59864853

IUPAC3-chloro-2,4,5-trimethyl-1H-pyrrole
SMILESCc1[nH]c(C)c(Cl)c1C
InChIInChI=1S/C7H10ClN/c1-4-5(2)9-6(3)7(4)8/h9H,1-3H3
InChIKeyLQHFOKVNZLJGQC-UHFFFAOYSA-N
MW143.62 g/mol
LogP2.59
Rot. Bonds

About 3-chloro-2,4,5-trimethyl-1H-pyrrole

3-chloro-2,4,5-trimethyl-1H-pyrrole (PubChem CID 59864853) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is 3-chloro-2,4,5-trimethyl-1H-pyrrole.

Molecular Properties

Compound Name3-chloro-2,4,5-trimethyl-1H-pyrrole
PubChem CID59864853
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC Name3-chloro-2,4,5-trimethyl-1H-pyrrole
SMILESCc1[nH]c(C)c(Cl)c1C
InChIInChI=1S/C7H10ClN/c1-4-5(2)9-6(3)7(4)8/h9H,1-3H3
InChIKeyLQHFOKVNZLJGQC-UHFFFAOYSA-N
XLogP2.59
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.62
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,4,5-trimethyl-1H-pyrrole?
The IUPAC name of 3-chloro-2,4,5-trimethyl-1H-pyrrole (CID 59864853) is 3-chloro-2,4,5-trimethyl-1H-pyrrole.
What is the SMILES notation for 3-chloro-2,4,5-trimethyl-1H-pyrrole?
The canonical SMILES for 3-chloro-2,4,5-trimethyl-1H-pyrrole is Cc1[nH]c(C)c(Cl)c1C.
What is the InChIKey of 3-chloro-2,4,5-trimethyl-1H-pyrrole?
The InChIKey is LQHFOKVNZLJGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN/c1-4-5(2)9-6(3)7(4)8/h9H,1-3H3.
What are the key properties of 3-chloro-2,4,5-trimethyl-1H-pyrrole?
3-chloro-2,4,5-trimethyl-1H-pyrrole has a molecular weight of 143.62 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,4,5-trimethyl-1H-pyrrole is sourced from PubChem (CID 59864853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).