5,5-dichloroindeno[1,2-b]pyridine

C12H7Cl2N — CID 714437

IUPAC5,5-dichloroindeno[1,2-b]pyridine
SMILESClC1(Cl)c2ccccc2-c2ncccc21
InChIInChI=1S/C12H7Cl2N/c13-12(14)9-5-2-1-4-8(9)11-10(12)6-3-7-15-11/h1-7H
InChIKeyBSSOGTQGKNKPLG-UHFFFAOYSA-N
MW236.10 g/mol
LogP3.74
Rot. Bonds

About 5,5-dichloroindeno[1,2-b]pyridine

5,5-dichloroindeno[1,2-b]pyridine (PubChem CID 714437) has the molecular formula C12H7Cl2N and a molecular weight of 236.10 g/mol. Its IUPAC name is 5,5-dichloroindeno[1,2-b]pyridine.

Molecular Properties

Compound Name5,5-dichloroindeno[1,2-b]pyridine
PubChem CID714437
Molecular FormulaC12H7Cl2N
Molecular Weight236.10 g/mol
Exact Mass235.00
IUPAC Name5,5-dichloroindeno[1,2-b]pyridine
SMILESClC1(Cl)c2ccccc2-c2ncccc21
InChIInChI=1S/C12H7Cl2N/c13-12(14)9-5-2-1-4-8(9)11-10(12)6-3-7-15-11/h1-7H
InChIKeyBSSOGTQGKNKPLG-UHFFFAOYSA-N
XLogP3.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-azapentacyclo[12.4.2.01,14.02,7.08,13]icosa-2(7),3,5,8,10,12-hexaene
CID 140892102
5-(2-phenylphenyl)indeno[1,2-b]pyridin-5-ol
CID 59760565
ethyl 2-(5-chloroindeno[1,2-b]pyridin-5-yl)acetate
CID 14792995
6-azahexacyclo[15.2.1.114,17.01,14.02,7.08,13]henicosa-2(7),3,5,8,10,12-hexaene-16,18-dione
CID 126542593
spiro[indeno[1,2-b]pyridine-5,3'-pyrrolidine]-2',5'-dione
CID 14075046
3-azatricyclo[6.4.0.02,7]dodeca-1(12),2(7),3,5,8,10-hexaene;biphenylene
CID 175097557
spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,1'-cyclopropane]
CID 100944087
spiro[5H-indeno[2,1-a]indene-10,5'-indeno[1,2-b]pyridine]
CID 126652948
5,6,6-trimethyl-5H-benzo[h]quinoline
CID 170777086
benzene-1,2-diol;platinum;spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]
CID 59661482
3-bromo-2-[2-[2-(3-bromo-2-pyridinyl)phenyl]phenyl]pyridine
CID 102358252
(1S)-1-methyl-6-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaene
CID 101391435

Frequently Asked Questions

What is the IUPAC name of 5,5-dichloroindeno[1,2-b]pyridine?
The IUPAC name of 5,5-dichloroindeno[1,2-b]pyridine (CID 714437) is 5,5-dichloroindeno[1,2-b]pyridine.
What is the SMILES notation for 5,5-dichloroindeno[1,2-b]pyridine?
The canonical SMILES for 5,5-dichloroindeno[1,2-b]pyridine is ClC1(Cl)c2ccccc2-c2ncccc21.
What is the InChIKey of 5,5-dichloroindeno[1,2-b]pyridine?
The InChIKey is BSSOGTQGKNKPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N/c13-12(14)9-5-2-1-4-8(9)11-10(12)6-3-7-15-11/h1-7H.
What are the key properties of 5,5-dichloroindeno[1,2-b]pyridine?
5,5-dichloroindeno[1,2-b]pyridine has a molecular weight of 236.10 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dichloroindeno[1,2-b]pyridine is sourced from PubChem (CID 714437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).