2-chloro-4-fluoro-3-methyl-1H-pyrrole

C5H5ClFN — CID 138494945

IUPAC2-chloro-4-fluoro-3-methyl-1H-pyrrole
SMILESCc1c(F)c[nH]c1Cl
InChIInChI=1S/C5H5ClFN/c1-3-4(7)2-8-5(3)6/h2,8H,1H3
InChIKeyGHBDXDHBXVJKQS-UHFFFAOYSA-N
MW133.55 g/mol
LogP2.12
Rot. Bonds

About 2-chloro-4-fluoro-3-methyl-1H-pyrrole

2-chloro-4-fluoro-3-methyl-1H-pyrrole (PubChem CID 138494945) has the molecular formula C5H5ClFN and a molecular weight of 133.55 g/mol. Its IUPAC name is 2-chloro-4-fluoro-3-methyl-1H-pyrrole.

Molecular Properties

Compound Name2-chloro-4-fluoro-3-methyl-1H-pyrrole
PubChem CID138494945
Molecular FormulaC5H5ClFN
Molecular Weight133.55 g/mol
Exact Mass133.01
IUPAC Name2-chloro-4-fluoro-3-methyl-1H-pyrrole
SMILESCc1c(F)c[nH]c1Cl
InChIInChI=1S/C5H5ClFN/c1-3-4(7)2-8-5(3)6/h2,8H,1H3
InChIKeyGHBDXDHBXVJKQS-UHFFFAOYSA-N
XLogP2.12
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.55
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-3-methyl-1H-pyrrole?
The IUPAC name of 2-chloro-4-fluoro-3-methyl-1H-pyrrole (CID 138494945) is 2-chloro-4-fluoro-3-methyl-1H-pyrrole.
What is the SMILES notation for 2-chloro-4-fluoro-3-methyl-1H-pyrrole?
The canonical SMILES for 2-chloro-4-fluoro-3-methyl-1H-pyrrole is Cc1c(F)c[nH]c1Cl.
What is the InChIKey of 2-chloro-4-fluoro-3-methyl-1H-pyrrole?
The InChIKey is GHBDXDHBXVJKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClFN/c1-3-4(7)2-8-5(3)6/h2,8H,1H3.
What are the key properties of 2-chloro-4-fluoro-3-methyl-1H-pyrrole?
2-chloro-4-fluoro-3-methyl-1H-pyrrole has a molecular weight of 133.55 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-3-methyl-1H-pyrrole is sourced from PubChem (CID 138494945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).