formic acid;4-methoxy-1H-imidazo[4,5-c]pyridine

C8H9N3O3 — CID 127255827

IUPACformic acid;4-methoxy-1H-imidazo[4,5-c]pyridine
SMILESCOc1nccc2[nH]cnc12.O=CO
InChIInChI=1S/C7H7N3O.CH2O2/c1-11-7-6-5(2-3-8-7)9-4-10-6;2-1-3/h2-4H,1H3,(H,9,10);1H,(H,2,3)
InChIKeyUBGVTASTWDQDSX-UHFFFAOYSA-N
MW195.18 g/mol
LogP0.67
Rot. Bonds1

About formic acid;4-methoxy-1H-imidazo[4,5-c]pyridine

formic acid;4-methoxy-1H-imidazo[4,5-c]pyridine (PubChem CID 127255827) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is formic acid;4-methoxy-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Nameformic acid;4-methoxy-1H-imidazo[4,5-c]pyridine
PubChem CID127255827
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Nameformic acid;4-methoxy-1H-imidazo[4,5-c]pyridine
SMILESCOc1nccc2[nH]cnc12.O=CO
InChIInChI=1S/C7H7N3O.CH2O2/c1-11-7-6-5(2-3-8-7)9-4-10-6;2-1-3/h2-4H,1H3,(H,9,10);1H,(H,2,3)
InChIKeyUBGVTASTWDQDSX-UHFFFAOYSA-N
XLogP0.67
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(1H-imidazo[4,5-c]pyridin-4-yl)acetamide
CID 121357632
4-methyl-1H-imidazo[4,5-c]pyridine;molecular hydrogen
CID 176999050
CID 87691934
CID 87691934
1H-imidazo[4,5-c]pyridin-4-yl(methyl)carbamic acid
CID 69148967
1H-imidazo[4,5-c]pyridin-4-amine;hydrochloride
CID 19388577
4,5-dimethoxy-1H-benzimidazole
CID 54423692
4-methoxy-5-methyl-1H-benzimidazole
CID 91306611
tert-butyl N-(1H-imidazo[4,5-c]pyridin-4-yl)carbamate
CID 70964464
1-(1H-imidazo[4,5-c]pyridin-4-yl)-1,3-diazetidin-2-one
CID 177218146
2-(1H-imidazo[4,5-c]pyridin-4-yl)acetamide
CID 140604998
4-fluoro-5-methoxy-1H-benzimidazole
CID 130850479
5-chloro-4-methoxy-1H-benzimidazole
CID 130049294

Frequently Asked Questions

What is the IUPAC name of formic acid;4-methoxy-1H-imidazo[4,5-c]pyridine?
The IUPAC name of formic acid;4-methoxy-1H-imidazo[4,5-c]pyridine (CID 127255827) is formic acid;4-methoxy-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for formic acid;4-methoxy-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for formic acid;4-methoxy-1H-imidazo[4,5-c]pyridine is COc1nccc2[nH]cnc12.O=CO.
What is the InChIKey of formic acid;4-methoxy-1H-imidazo[4,5-c]pyridine?
The InChIKey is UBGVTASTWDQDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O.CH2O2/c1-11-7-6-5(2-3-8-7)9-4-10-6;2-1-3/h2-4H,1H3,(H,9,10);1H,(H,2,3).
What are the key properties of formic acid;4-methoxy-1H-imidazo[4,5-c]pyridine?
formic acid;4-methoxy-1H-imidazo[4,5-c]pyridine has a molecular weight of 195.18 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-methoxy-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 127255827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).