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

C14H10N4O — CID 19821941

IUPAC2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile
SMILESN#CCOc1cccc(-c2nc3ccncc3[nH]2)c1
InChIInChI=1S/C14H10N4O/c15-5-7-19-11-3-1-2-10(8-11)14-17-12-4-6-16-9-13(12)18-14/h1-4,6,8-9H,7H2,(H,17,18)
InChIKeyNRAWNWSZXUGBHI-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.53
Rot. Bonds3

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

2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile (PubChem CID 19821941) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile
PubChem CID19821941
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile
SMILESN#CCOc1cccc(-c2nc3ccncc3[nH]2)c1
InChIInChI=1S/C14H10N4O/c15-5-7-19-11-3-1-2-10(8-11)14-17-12-4-6-16-9-13(12)18-14/h1-4,6,8-9H,7H2,(H,17,18)
InChIKeyNRAWNWSZXUGBHI-UHFFFAOYSA-N
XLogP2.53
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3H-imidazo[4,5-c]pyridin-2-yl)benzonitrile
CID 19864793
2-[5-hydroxy-2-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile
CID 135999315
2-(3-nitrophenyl)-3H-imidazo[4,5-c]pyridine
CID 14183090
6-prop-2-ynoxy-2-pyridin-3-yl-1H-benzimidazole
CID 84816420
2-(3-ethoxyphenyl)-1H-benzimidazole
CID 19224120
2-(4-butoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride
CID 13450790
2-(3-methoxy-4-prop-2-ynoxyphenyl)-3H-imidazo[4,5-c]pyridine
CID 19821912
2-(6-bromonaphthalen-2-yl)-3H-imidazo[4,5-c]pyridine
CID 115354156
methyl 3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]benzoate
CID 100957972
2-[3-hydroxy-4-(1H-imidazo[4,5-d]pyridazin-2-yl)phenoxy]acetonitrile
CID 135993105
2-(3-prop-2-enoxy-4-prop-2-ynoxyphenyl)-3H-imidazo[4,5-c]pyridine
CID 19821966
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-[3-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile?
The IUPAC name of 2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile (CID 19821941) is 2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile.
What is the SMILES notation for 2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile?
The canonical SMILES for 2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile is N#CCOc1cccc(-c2nc3ccncc3[nH]2)c1.
What is the InChIKey of 2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile?
The InChIKey is NRAWNWSZXUGBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c15-5-7-19-11-3-1-2-10(8-11)14-17-12-4-6-16-9-13(12)18-14/h1-4,6,8-9H,7H2,(H,17,18).
What are the key properties of 2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile?
2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile has a molecular weight of 250.26 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile is sourced from PubChem (CID 19821941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).