2-[5-hydroxy-2-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile

C14H10N4O2 — CID 135999315

IUPAC2-[5-hydroxy-2-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile
SMILESN#CCOc1cc(O)ccc1-c1nc2ccncc2[nH]1
InChIInChI=1S/C14H10N4O2/c15-4-6-20-13-7-9(19)1-2-10(13)14-17-11-3-5-16-8-12(11)18-14/h1-3,5,7-8,19H,6H2,(H,17,18)
InChIKeyVOMXXUNJXLKYOR-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.23
Rot. Bonds3

About 2-[5-hydroxy-2-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile

2-[5-hydroxy-2-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile (PubChem CID 135999315) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-[5-hydroxy-2-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[5-hydroxy-2-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile
PubChem CID135999315
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC Name2-[5-hydroxy-2-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile
SMILESN#CCOc1cc(O)ccc1-c1nc2ccncc2[nH]1
InChIInChI=1S/C14H10N4O2/c15-4-6-20-13-7-9(19)1-2-10(13)14-17-11-3-5-16-8-12(11)18-14/h1-3,5,7-8,19H,6H2,(H,17,18)
InChIKeyVOMXXUNJXLKYOR-UHFFFAOYSA-N
XLogP2.23
TPSA94.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-4-(3H-imidazo[4,5-c]pyridin-2-yl)phenol
CID 135999342
2-(4-methoxy-2-prop-2-ynoxyphenyl)-3H-imidazo[4,5-c]pyridine
CID 13145901
2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile
CID 19821941
2-[3-hydroxy-4-(1H-imidazo[4,5-d]pyridazin-2-yl)phenoxy]acetonitrile
CID 135993105
2-(4-methylsulfanyl-2-propoxyphenyl)-3H-imidazo[4,5-c]pyridine
CID 13450837
methyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenoxy]acetate
CID 19821943
2-[3-ethoxy-4-(7H-purin-8-yl)phenoxy]acetonitrile
CID 70491024
3-(3H-imidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol
CID 136928276
4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)phenol
CID 137011269
2-(3-methoxy-4-prop-2-ynoxyphenyl)-3H-imidazo[4,5-c]pyridine
CID 19821912
2-(2-pentoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride
CID 45259699
2-[2-[3-(3,4-dichlorophenoxy)propoxy]phenyl]-3H-imidazo[4,5-c]pyridine
CID 19864797

Frequently Asked Questions

What is the IUPAC name of 2-[5-hydroxy-2-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile?
The IUPAC name of 2-[5-hydroxy-2-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile (CID 135999315) is 2-[5-hydroxy-2-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile.
What is the SMILES notation for 2-[5-hydroxy-2-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile?
The canonical SMILES for 2-[5-hydroxy-2-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile is N#CCOc1cc(O)ccc1-c1nc2ccncc2[nH]1.
What is the InChIKey of 2-[5-hydroxy-2-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile?
The InChIKey is VOMXXUNJXLKYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2/c15-4-6-20-13-7-9(19)1-2-10(13)14-17-11-3-5-16-8-12(11)18-14/h1-3,5,7-8,19H,6H2,(H,17,18).
What are the key properties of 2-[5-hydroxy-2-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile?
2-[5-hydroxy-2-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile has a molecular weight of 266.26 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-hydroxy-2-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile is sourced from PubChem (CID 135999315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).