3-isocyano-2-methylimidazo[1,2-a]pyridine

C9H7N3 — CID 167583216

IUPAC3-isocyano-2-methylimidazo[1,2-a]pyridine
SMILES[C-]#[N+]c1c(C)nc2ccccn12
InChIInChI=1S/C9H7N3/c1-7-9(10-2)12-6-4-3-5-8(12)11-7/h3-6H,1H3
InChIKeyQSVHRLMJYKMPJE-UHFFFAOYSA-N
MW157.18 g/mol
LogP2.19
Rot. Bonds

About 3-isocyano-2-methylimidazo[1,2-a]pyridine

3-isocyano-2-methylimidazo[1,2-a]pyridine (PubChem CID 167583216) has the molecular formula C9H7N3 and a molecular weight of 157.18 g/mol. Its IUPAC name is 3-isocyano-2-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-isocyano-2-methylimidazo[1,2-a]pyridine
PubChem CID167583216
Molecular FormulaC9H7N3
Molecular Weight157.18 g/mol
Exact Mass157.06
IUPAC Name3-isocyano-2-methylimidazo[1,2-a]pyridine
SMILES[C-]#[N+]c1c(C)nc2ccccn12
InChIInChI=1S/C9H7N3/c1-7-9(10-2)12-6-4-3-5-8(12)11-7/h3-6H,1H3
InChIKeyQSVHRLMJYKMPJE-UHFFFAOYSA-N
XLogP2.19
TPSA21.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-3-methylimidazo[1,2-a]pyridine
CID 126539861
3-(2-methoxyethyl)-2-methylimidazo[1,2-a]pyridine
CID 130909325
4,5-dimethyl-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole
CID 58095097
1-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)ethyl]cyclopropan-1-amine
CID 105469138
2,2,2-trifluoro-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 82029187
N-ethyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 789702
N-methoxy-1-(2-methylimidazo[1,2-a]pyridin-3-yl)methanimine
CID 2312916
methyl N-(2-methylimidazo[1,2-a]pyridin-3-yl)carbamate
CID 83832700
ethane;2-methyl-3-pentylimidazo[1,2-a]pyridine
CID 91437982
2-(methylamino)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 84777303
2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]cyclopropan-1-amine
CID 62398309
1,5-diazatricyclo[4.4.0.02,4]deca-2(4),5,7,9-tetraene
CID 153452639

Frequently Asked Questions

What is the IUPAC name of 3-isocyano-2-methylimidazo[1,2-a]pyridine?
The IUPAC name of 3-isocyano-2-methylimidazo[1,2-a]pyridine (CID 167583216) is 3-isocyano-2-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-isocyano-2-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-isocyano-2-methylimidazo[1,2-a]pyridine is [C-]#[N+]c1c(C)nc2ccccn12.
What is the InChIKey of 3-isocyano-2-methylimidazo[1,2-a]pyridine?
The InChIKey is QSVHRLMJYKMPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3/c1-7-9(10-2)12-6-4-3-5-8(12)11-7/h3-6H,1H3.
What are the key properties of 3-isocyano-2-methylimidazo[1,2-a]pyridine?
3-isocyano-2-methylimidazo[1,2-a]pyridine has a molecular weight of 157.18 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isocyano-2-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 167583216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).