5,6-dichloro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine

C16H13Cl2N3 — CID 103977518

IUPAC5,6-dichloro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine
SMILESClc1cc2[nH]c(C3CCCc4ccccc43)nc2nc1Cl
InChIInChI=1S/C16H13Cl2N3/c17-12-8-13-16(20-14(12)18)21-15(19-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,8,11H,3,5,7H2,(H,19,20,21)
InChIKeyLDMVTZWRLMDAPH-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.73
Rot. Bonds1

About 5,6-dichloro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine

5,6-dichloro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 103977518) has the molecular formula C16H13Cl2N3 and a molecular weight of 318.21 g/mol. Its IUPAC name is 5,6-dichloro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5,6-dichloro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID103977518
Molecular FormulaC16H13Cl2N3
Molecular Weight318.21 g/mol
Exact Mass317.05
IUPAC Name5,6-dichloro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine
SMILESClc1cc2[nH]c(C3CCCc4ccccc43)nc2nc1Cl
InChIInChI=1S/C16H13Cl2N3/c17-12-8-13-16(20-14(12)18)21-15(19-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,8,11H,3,5,7H2,(H,19,20,21)
InChIKeyLDMVTZWRLMDAPH-UHFFFAOYSA-N
XLogP4.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.73
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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Related Compounds

2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine
CID 62719628
4,6-difluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazole
CID 81455031
7-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine
CID 63723162
5-chloro-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazole
CID 65266685
4,6-dichloro-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 55217602
5,6-dichloro-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine
CID 103977352
5,6-dimethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrimidine-4-thione
CID 106476770
4,6-dichloro-5-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 63611983
5,6-dichloro-2-(3-methyloxolan-2-yl)-1H-imidazo[4,5-b]pyridine
CID 103977579
5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-tetrazole
CID 129369108
1,2-dichlorobenzene;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 142874609
2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 65406764

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5,6-dichloro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine (CID 103977518) is 5,6-dichloro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5,6-dichloro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5,6-dichloro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine is Clc1cc2[nH]c(C3CCCc4ccccc43)nc2nc1Cl.
What is the InChIKey of 5,6-dichloro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is LDMVTZWRLMDAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3/c17-12-8-13-16(20-14(12)18)21-15(19-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,8,11H,3,5,7H2,(H,19,20,21).
What are the key properties of 5,6-dichloro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine?
5,6-dichloro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 318.21 g/mol, XLogP of 4.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 103977518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).