1,3-dichloro-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine

C11H13Cl2N — CID 12533018

IUPAC1,3-dichloro-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine
SMILESClc1cc2c(c(Cl)n1)CCCCCC2
InChIInChI=1S/C11H13Cl2N/c12-10-7-8-5-3-1-2-4-6-9(8)11(13)14-10/h7H,1-6H2
InChIKeyQDLUEHZJWYEZNR-UHFFFAOYSA-N
MW230.14 g/mol
LogP4.05
Rot. Bonds

About 1,3-dichloro-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine

1,3-dichloro-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine (PubChem CID 12533018) has the molecular formula C11H13Cl2N and a molecular weight of 230.14 g/mol. Its IUPAC name is 1,3-dichloro-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine.

Molecular Properties

Compound Name1,3-dichloro-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine
PubChem CID12533018
Molecular FormulaC11H13Cl2N
Molecular Weight230.14 g/mol
Exact Mass229.04
IUPAC Name1,3-dichloro-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine
SMILESClc1cc2c(c(Cl)n1)CCCCCC2
InChIInChI=1S/C11H13Cl2N/c12-10-7-8-5-3-1-2-4-6-9(8)11(13)14-10/h7H,1-6H2
InChIKeyQDLUEHZJWYEZNR-UHFFFAOYSA-N
XLogP4.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5,7-dichloro-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride
CID 146013843
2-chloro-3-(chloromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline
CID 63231750
3-chloro-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 84668554
2-chloro-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile
CID 63460303
4-chloro-2-[(3,5-dimethylphenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63405761
4-chloro-2-(3,5-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63405558
4-chloro-2-(3,4-dichlorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63405249
2-chloro-4-(4-chlorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
CID 15020637
5,6,7,8-tetrahydronaphthalene-1,3-dithiol
CID 167495652
3-(chloromethyl)-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 121258439
2-chloro-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3779818
(3-chloro-5,6,7,8-tetrahydronaphthalen-1-yl)methylhydrazine
CID 53402162

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine?
The IUPAC name of 1,3-dichloro-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine (CID 12533018) is 1,3-dichloro-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine.
What is the SMILES notation for 1,3-dichloro-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine?
The canonical SMILES for 1,3-dichloro-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine is Clc1cc2c(c(Cl)n1)CCCCCC2.
What is the InChIKey of 1,3-dichloro-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine?
The InChIKey is QDLUEHZJWYEZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N/c12-10-7-8-5-3-1-2-4-6-9(8)11(13)14-10/h7H,1-6H2.
What are the key properties of 1,3-dichloro-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine?
1,3-dichloro-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine has a molecular weight of 230.14 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine is sourced from PubChem (CID 12533018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).