2-tert-butyl-4-chloro-1-methylpyrrolo[2,3-c]pyridine

C12H15ClN2 — CID 148896060

IUPAC2-tert-butyl-4-chloro-1-methylpyrrolo[2,3-c]pyridine
SMILESCn1c(C(C)(C)C)cc2c(Cl)cncc21
InChIInChI=1S/C12H15ClN2/c1-12(2,3)11-5-8-9(13)6-14-7-10(8)15(11)4/h5-7H,1-4H3
InChIKeyPFWPLTYYKOIJGT-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.52
Rot. Bonds

About 2-tert-butyl-4-chloro-1-methylpyrrolo[2,3-c]pyridine

2-tert-butyl-4-chloro-1-methylpyrrolo[2,3-c]pyridine (PubChem CID 148896060) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-1-methylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-1-methylpyrrolo[2,3-c]pyridine
PubChem CID148896060
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name2-tert-butyl-4-chloro-1-methylpyrrolo[2,3-c]pyridine
SMILESCn1c(C(C)(C)C)cc2c(Cl)cncc21
InChIInChI=1S/C12H15ClN2/c1-12(2,3)11-5-8-9(13)6-14-7-10(8)15(11)4/h5-7H,1-4H3
InChIKeyPFWPLTYYKOIJGT-UHFFFAOYSA-N
XLogP3.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-1-methylpyrrolo[2,3-c]pyridine?
The IUPAC name of 2-tert-butyl-4-chloro-1-methylpyrrolo[2,3-c]pyridine (CID 148896060) is 2-tert-butyl-4-chloro-1-methylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 2-tert-butyl-4-chloro-1-methylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 2-tert-butyl-4-chloro-1-methylpyrrolo[2,3-c]pyridine is Cn1c(C(C)(C)C)cc2c(Cl)cncc21.
What is the InChIKey of 2-tert-butyl-4-chloro-1-methylpyrrolo[2,3-c]pyridine?
The InChIKey is PFWPLTYYKOIJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-12(2,3)11-5-8-9(13)6-14-7-10(8)15(11)4/h5-7H,1-4H3.
What are the key properties of 2-tert-butyl-4-chloro-1-methylpyrrolo[2,3-c]pyridine?
2-tert-butyl-4-chloro-1-methylpyrrolo[2,3-c]pyridine has a molecular weight of 222.72 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-1-methylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 148896060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).