3-isocyanato-7-methylimidazo[1,2-a]pyridine

C9H7N3O — CID 83914637

IUPAC3-isocyanato-7-methylimidazo[1,2-a]pyridine
SMILESCc1ccn2c(N=C=O)cnc2c1
InChIInChI=1S/C9H7N3O/c1-7-2-3-12-8(4-7)10-5-9(12)11-6-13/h2-5H,1H3
InChIKeyTYMKIBPUEIBKML-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.61
Rot. Bonds1

About 3-isocyanato-7-methylimidazo[1,2-a]pyridine

3-isocyanato-7-methylimidazo[1,2-a]pyridine (PubChem CID 83914637) has the molecular formula C9H7N3O and a molecular weight of 173.17 g/mol. Its IUPAC name is 3-isocyanato-7-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-isocyanato-7-methylimidazo[1,2-a]pyridine
PubChem CID83914637
Molecular FormulaC9H7N3O
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Name3-isocyanato-7-methylimidazo[1,2-a]pyridine
SMILESCc1ccn2c(N=C=O)cnc2c1
InChIInChI=1S/C9H7N3O/c1-7-2-3-12-8(4-7)10-5-9(12)11-6-13/h2-5H,1H3
InChIKeyTYMKIBPUEIBKML-UHFFFAOYSA-N
XLogP1.61
TPSA46.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

7-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 162421003
1-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-amine
CID 82029094
8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-diazonium
CID 15459338
8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 2800874
N-methyl-1-(7-methylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 55264135
5-isocyanato-2-methylimidazo[2,1-b][1,3]oxazole
CID 112716700
2-methyl-1-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-amine
CID 82029097
3-(ethylsulfanylmethyl)-7-methylimidazo[1,2-a]pyridine
CID 511741
3-methyl-1-(7-methylimidazo[1,2-a]pyridin-3-yl)butan-1-amine
CID 82029101
8-methyl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
CID 157197149
N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]butan-2-amine
CID 115651305
3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-(3-methylphenyl)propanoic acid
CID 42879887

Frequently Asked Questions

What is the IUPAC name of 3-isocyanato-7-methylimidazo[1,2-a]pyridine?
The IUPAC name of 3-isocyanato-7-methylimidazo[1,2-a]pyridine (CID 83914637) is 3-isocyanato-7-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-isocyanato-7-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-isocyanato-7-methylimidazo[1,2-a]pyridine is Cc1ccn2c(N=C=O)cnc2c1.
What is the InChIKey of 3-isocyanato-7-methylimidazo[1,2-a]pyridine?
The InChIKey is TYMKIBPUEIBKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c1-7-2-3-12-8(4-7)10-5-9(12)11-6-13/h2-5H,1H3.
What are the key properties of 3-isocyanato-7-methylimidazo[1,2-a]pyridine?
3-isocyanato-7-methylimidazo[1,2-a]pyridine has a molecular weight of 173.17 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isocyanato-7-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 83914637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).