7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridine

C9H11ClN2 — CID 140984920

IUPAC7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridine
SMILESCC1(C)CNc2c1ccnc2Cl
InChIInChI=1S/C9H11ClN2/c1-9(2)5-12-7-6(9)3-4-11-8(7)10/h3-4,12H,5H2,1-2H3
InChIKeyMYVAKBNDVDOILK-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.44
Rot. Bonds

About 7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridine

7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridine (PubChem CID 140984920) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridine
PubChem CID140984920
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridine
SMILESCC1(C)CNc2c1ccnc2Cl
InChIInChI=1S/C9H11ClN2/c1-9(2)5-12-7-6(9)3-4-11-8(7)10/h3-4,12H,5H2,1-2H3
InChIKeyMYVAKBNDVDOILK-UHFFFAOYSA-N
XLogP2.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridine?
The IUPAC name of 7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridine (CID 140984920) is 7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridine.
What is the SMILES notation for 7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridine?
The canonical SMILES for 7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridine is CC1(C)CNc2c1ccnc2Cl.
What is the InChIKey of 7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridine?
The InChIKey is MYVAKBNDVDOILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2/c1-9(2)5-12-7-6(9)3-4-11-8(7)10/h3-4,12H,5H2,1-2H3.
What are the key properties of 7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridine?
7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridine has a molecular weight of 182.65 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridine is sourced from PubChem (CID 140984920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).