6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine

C13H10ClN3O — CID 22340732

IUPAC6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine
SMILESClc1cc2[nH]cnc2c(OCc2ccccc2)n1
InChIInChI=1S/C13H10ClN3O/c14-11-6-10-12(16-8-15-10)13(17-11)18-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,15,16)
InChIKeyZIFXPLLDFKUDHD-UHFFFAOYSA-N
MW259.70 g/mol
LogP3.19
Rot. Bonds3

About 6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine

6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine (PubChem CID 22340732) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine
PubChem CID22340732
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine
SMILESClc1cc2[nH]cnc2c(OCc2ccccc2)n1
InChIInChI=1S/C13H10ClN3O/c14-11-6-10-12(16-8-15-10)13(17-11)18-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,15,16)
InChIKeyZIFXPLLDFKUDHD-UHFFFAOYSA-N
XLogP3.19
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-cyclopropyl-4-phenylmethoxyimidazo[4,5-c]pyridine;6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine
CID 158719632
6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine
CID 20820677
7-bromo-3-chloro-1-phenylmethoxyisoquinoline
CID 86677086
2-bromo-5-chloro-3-phenylmethoxypyrazine
CID 121218855
7-chloro-3-methyl-2-phenylmethoxy-1,8-naphthyridine
CID 21073267
(3,5-dichloro-6-phenylmethoxy-2-pyridinyl)hydrazine
CID 102762715
5-chloro-4-[(3-chlorophenyl)methoxy]-1H-pyrimidin-6-one
CID 114676466
6-chloro-3-methoxy-2-methyl-4-phenylmethoxypyridine
CID 169250017
4-chloro-6-phenylmethoxy-2-propylpyrimidine
CID 80939582
3-(azetidin-3-yloxy)-5-chloro-2-phenylmethoxypyridine
CID 58405049
6-[(3-chlorophenyl)methoxy]-7H-purin-2-amine
CID 5329518
2-chloro-4-methyl-6-phenylmethoxyquinoline
CID 82580959

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine (CID 22340732) is 6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine is Clc1cc2[nH]cnc2c(OCc2ccccc2)n1.
What is the InChIKey of 6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine?
The InChIKey is ZIFXPLLDFKUDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c14-11-6-10-12(16-8-15-10)13(17-11)18-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,15,16).
What are the key properties of 6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine?
6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine has a molecular weight of 259.70 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 22340732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).