2,6-dichloro-5,7-dihydropyrrolo[3,4-b]pyridine

C7H6Cl2N2 — CID 146217171

IUPAC2,6-dichloro-5,7-dihydropyrrolo[3,4-b]pyridine
SMILESClc1ccc2c(n1)CN(Cl)C2
InChIInChI=1S/C7H6Cl2N2/c8-7-2-1-5-3-11(9)4-6(5)10-7/h1-2H,3-4H2
InChIKeyKHYGTHXXRBXEME-UHFFFAOYSA-N
MW189.05 g/mol
LogP2.20
Rot. Bonds

About 2,6-dichloro-5,7-dihydropyrrolo[3,4-b]pyridine

2,6-dichloro-5,7-dihydropyrrolo[3,4-b]pyridine (PubChem CID 146217171) has the molecular formula C7H6Cl2N2 and a molecular weight of 189.05 g/mol. Its IUPAC name is 2,6-dichloro-5,7-dihydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name2,6-dichloro-5,7-dihydropyrrolo[3,4-b]pyridine
PubChem CID146217171
Molecular FormulaC7H6Cl2N2
Molecular Weight189.05 g/mol
Exact Mass187.99
IUPAC Name2,6-dichloro-5,7-dihydropyrrolo[3,4-b]pyridine
SMILESClc1ccc2c(n1)CN(Cl)C2
InChIInChI=1S/C7H6Cl2N2/c8-7-2-1-5-3-11(9)4-6(5)10-7/h1-2H,3-4H2
InChIKeyKHYGTHXXRBXEME-UHFFFAOYSA-N
XLogP2.20
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.05
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 15012906
2-chloro-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine
CID 86671273
2-chloro-6-(2-cyclopropyloxyethyl)-7,8-dihydro-5H-1,6-naphthyridine
CID 166294019
2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid
CID 21260374
2-chloro-5,6,7,8-tetrahydroquinoline-8-thiol
CID 88997258
2-chloro-6-[(6-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine
CID 91140295
2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl acetate
CID 176891153
2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
CID 42609290
6-benzyl-2-chloro-8-methylidene-5,7-dihydro-1,6-naphthyridine
CID 59538692
2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine;methane;propan-1-ol
CID 177205528
2-chloro-5,6,7,8-tetrahydroquinolin-8-amine
CID 58484137
2-chloro-8-methyl-5,6,7,8-tetrahydroquinoline
CID 72743006

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-5,7-dihydropyrrolo[3,4-b]pyridine?
The IUPAC name of 2,6-dichloro-5,7-dihydropyrrolo[3,4-b]pyridine (CID 146217171) is 2,6-dichloro-5,7-dihydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 2,6-dichloro-5,7-dihydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 2,6-dichloro-5,7-dihydropyrrolo[3,4-b]pyridine is Clc1ccc2c(n1)CN(Cl)C2.
What is the InChIKey of 2,6-dichloro-5,7-dihydropyrrolo[3,4-b]pyridine?
The InChIKey is KHYGTHXXRBXEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2/c8-7-2-1-5-3-11(9)4-6(5)10-7/h1-2H,3-4H2.
What are the key properties of 2,6-dichloro-5,7-dihydropyrrolo[3,4-b]pyridine?
2,6-dichloro-5,7-dihydropyrrolo[3,4-b]pyridine has a molecular weight of 189.05 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-5,7-dihydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 146217171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).