2-(7-methoxy-3H-imidazo[4,5-c]pyridin-2-yl)acetonitrile

C9H8N4O — CID 166058695

IUPAC2-(7-methoxy-3H-imidazo[4,5-c]pyridin-2-yl)acetonitrile
SMILESCOc1cncc2[nH]c(CC#N)nc12
InChIInChI=1S/C9H8N4O/c1-14-7-5-11-4-6-9(7)13-8(12-6)2-3-10/h4-5H,2H2,1H3,(H,12,13)
InChIKeyLHMWPPNFEQXZPO-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.03
Rot. Bonds2

About 2-(7-methoxy-3H-imidazo[4,5-c]pyridin-2-yl)acetonitrile

2-(7-methoxy-3H-imidazo[4,5-c]pyridin-2-yl)acetonitrile (PubChem CID 166058695) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 2-(7-methoxy-3H-imidazo[4,5-c]pyridin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(7-methoxy-3H-imidazo[4,5-c]pyridin-2-yl)acetonitrile
PubChem CID166058695
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name2-(7-methoxy-3H-imidazo[4,5-c]pyridin-2-yl)acetonitrile
SMILESCOc1cncc2[nH]c(CC#N)nc12
InChIInChI=1S/C9H8N4O/c1-14-7-5-11-4-6-9(7)13-8(12-6)2-3-10/h4-5H,2H2,1H3,(H,12,13)
InChIKeyLHMWPPNFEQXZPO-UHFFFAOYSA-N
XLogP1.03
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-3H-imidazo[4,5-c]pyridin-2-yl)acetonitrile?
The IUPAC name of 2-(7-methoxy-3H-imidazo[4,5-c]pyridin-2-yl)acetonitrile (CID 166058695) is 2-(7-methoxy-3H-imidazo[4,5-c]pyridin-2-yl)acetonitrile.
What is the SMILES notation for 2-(7-methoxy-3H-imidazo[4,5-c]pyridin-2-yl)acetonitrile?
The canonical SMILES for 2-(7-methoxy-3H-imidazo[4,5-c]pyridin-2-yl)acetonitrile is COc1cncc2[nH]c(CC#N)nc12.
What is the InChIKey of 2-(7-methoxy-3H-imidazo[4,5-c]pyridin-2-yl)acetonitrile?
The InChIKey is LHMWPPNFEQXZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c1-14-7-5-11-4-6-9(7)13-8(12-6)2-3-10/h4-5H,2H2,1H3,(H,12,13).
What are the key properties of 2-(7-methoxy-3H-imidazo[4,5-c]pyridin-2-yl)acetonitrile?
2-(7-methoxy-3H-imidazo[4,5-c]pyridin-2-yl)acetonitrile has a molecular weight of 188.19 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-3H-imidazo[4,5-c]pyridin-2-yl)acetonitrile is sourced from PubChem (CID 166058695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).