5-ethyl-2-isocyanato-3-methoxypyridine

C9H10N2O2 — CID 130048984

IUPAC5-ethyl-2-isocyanato-3-methoxypyridine
SMILESCCc1cnc(N=C=O)c(OC)c1
InChIInChI=1S/C9H10N2O2/c1-3-7-4-8(13-2)9(10-5-7)11-6-12/h4-5H,3H2,1-2H3
InChIKeyKBBPXYNDKDCVAX-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.62
Rot. Bonds3

About 5-ethyl-2-isocyanato-3-methoxypyridine

5-ethyl-2-isocyanato-3-methoxypyridine (PubChem CID 130048984) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 5-ethyl-2-isocyanato-3-methoxypyridine.

Molecular Properties

Compound Name5-ethyl-2-isocyanato-3-methoxypyridine
PubChem CID130048984
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name5-ethyl-2-isocyanato-3-methoxypyridine
SMILESCCc1cnc(N=C=O)c(OC)c1
InChIInChI=1S/C9H10N2O2/c1-3-7-4-8(13-2)9(10-5-7)11-6-12/h4-5H,3H2,1-2H3
InChIKeyKBBPXYNDKDCVAX-UHFFFAOYSA-N
XLogP1.62
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.62
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

ethane;5-ethyl-3-methoxy-2-methylpyridine
CID 143989915
1-isocyanato-4-[4-(4-isocyanato-3-methoxyphenyl)butyl]-2-methoxybenzene
CID 130387877
5-ethyl-2-methoxypyrimidine
CID 20754775
7-ethyl-5-methoxyphthalazine
CID 156809915
(3-ethyl-7-methoxyquinolin-6-yl)boronic acid
CID 125469640
2-chloro-5-[(4-ethyl-2-methoxyphenoxy)methyl]pyridine
CID 103866434
3-isocyanato-5-(2-methoxyphenyl)-1,2-oxazole
CID 83917185
2-fluoro-4-(isocyanatomethyl)-6-methoxyphenol
CID 117286578
1-isocyanato-2-[(4-isocyanato-3-methoxyphenyl)methyl]-3-methoxybenzene
CID 87276451
3-ethyl-7-methoxyquinoline
CID 14361549
4-(isocyanatomethyl)-2-methoxy-1-(methoxymethoxy)benzene
CID 22507326
4-ethyl-2-(1-isocyanatocyclopentyl)-1-methoxybenzene
CID 82085814

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-isocyanato-3-methoxypyridine?
The IUPAC name of 5-ethyl-2-isocyanato-3-methoxypyridine (CID 130048984) is 5-ethyl-2-isocyanato-3-methoxypyridine.
What is the SMILES notation for 5-ethyl-2-isocyanato-3-methoxypyridine?
The canonical SMILES for 5-ethyl-2-isocyanato-3-methoxypyridine is CCc1cnc(N=C=O)c(OC)c1.
What is the InChIKey of 5-ethyl-2-isocyanato-3-methoxypyridine?
The InChIKey is KBBPXYNDKDCVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-3-7-4-8(13-2)9(10-5-7)11-6-12/h4-5H,3H2,1-2H3.
What are the key properties of 5-ethyl-2-isocyanato-3-methoxypyridine?
5-ethyl-2-isocyanato-3-methoxypyridine has a molecular weight of 178.19 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-isocyanato-3-methoxypyridine is sourced from PubChem (CID 130048984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).