4-chloro-3-methyl-1H-pyrrolo[3,2-c]pyridine;ethane

C10H13ClN2 — CID 145441164

IUPAC4-chloro-3-methyl-1H-pyrrolo[3,2-c]pyridine;ethane
SMILESCC.Cc1c[nH]c2ccnc(Cl)c12
InChIInChI=1S/C8H7ClN2.C2H6/c1-5-4-11-6-2-3-10-8(9)7(5)6;1-2/h2-4,11H,1H3;1-2H3
InChIKeyBQDKYCICUBANIK-UHFFFAOYSA-N
MW196.68 g/mol
LogP3.55
Rot. Bonds

About 4-chloro-3-methyl-1H-pyrrolo[3,2-c]pyridine;ethane

4-chloro-3-methyl-1H-pyrrolo[3,2-c]pyridine;ethane (PubChem CID 145441164) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 4-chloro-3-methyl-1H-pyrrolo[3,2-c]pyridine;ethane.

Molecular Properties

Compound Name4-chloro-3-methyl-1H-pyrrolo[3,2-c]pyridine;ethane
PubChem CID145441164
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name4-chloro-3-methyl-1H-pyrrolo[3,2-c]pyridine;ethane
SMILESCC.Cc1c[nH]c2ccnc(Cl)c12
InChIInChI=1S/C8H7ClN2.C2H6/c1-5-4-11-6-2-3-10-8(9)7(5)6;1-2/h2-4,11H,1H3;1-2H3
InChIKeyBQDKYCICUBANIK-UHFFFAOYSA-N
XLogP3.55
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-1H-pyrrolo[3,2-c]pyridine;ethane?
The IUPAC name of 4-chloro-3-methyl-1H-pyrrolo[3,2-c]pyridine;ethane (CID 145441164) is 4-chloro-3-methyl-1H-pyrrolo[3,2-c]pyridine;ethane.
What is the SMILES notation for 4-chloro-3-methyl-1H-pyrrolo[3,2-c]pyridine;ethane?
The canonical SMILES for 4-chloro-3-methyl-1H-pyrrolo[3,2-c]pyridine;ethane is CC.Cc1c[nH]c2ccnc(Cl)c12.
What is the InChIKey of 4-chloro-3-methyl-1H-pyrrolo[3,2-c]pyridine;ethane?
The InChIKey is BQDKYCICUBANIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2.C2H6/c1-5-4-11-6-2-3-10-8(9)7(5)6;1-2/h2-4,11H,1H3;1-2H3.
What are the key properties of 4-chloro-3-methyl-1H-pyrrolo[3,2-c]pyridine;ethane?
4-chloro-3-methyl-1H-pyrrolo[3,2-c]pyridine;ethane has a molecular weight of 196.68 g/mol, XLogP of 3.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-1H-pyrrolo[3,2-c]pyridine;ethane is sourced from PubChem (CID 145441164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).