5-(isocyanomethyl)-2-propan-2-yloxypyridine

C10H12N2O — CID 87652997

IUPAC5-(isocyanomethyl)-2-propan-2-yloxypyridine
SMILES[C-]#[N+]Cc1ccc(OC(C)C)nc1
InChIInChI=1S/C10H12N2O/c1-8(2)13-10-5-4-9(6-11-3)7-12-10/h4-5,7-8H,6H2,1-2H3
InChIKeyHBZBSFWNUBYFRP-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.29
Rot. Bonds3

About 5-(isocyanomethyl)-2-propan-2-yloxypyridine

5-(isocyanomethyl)-2-propan-2-yloxypyridine (PubChem CID 87652997) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-(isocyanomethyl)-2-propan-2-yloxypyridine.

Molecular Properties

Compound Name5-(isocyanomethyl)-2-propan-2-yloxypyridine
PubChem CID87652997
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name5-(isocyanomethyl)-2-propan-2-yloxypyridine
SMILES[C-]#[N+]Cc1ccc(OC(C)C)nc1
InChIInChI=1S/C10H12N2O/c1-8(2)13-10-5-4-9(6-11-3)7-12-10/h4-5,7-8H,6H2,1-2H3
InChIKeyHBZBSFWNUBYFRP-UHFFFAOYSA-N
XLogP2.29
TPSA26.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.29
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

5-(bromomethyl)-2-propan-2-yloxypyridine
CID 130153198
2-(6-propan-2-yloxy-3-pyridinyl)acetic acid
CID 84666013
2-(6-propan-2-yloxy-3-pyridinyl)acetamide
CID 173496816
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290349
N-[4-[4-[(6-propan-2-yloxy-3-pyridinyl)methyl]phenyl]butan-2-yl]acetamide
CID 144549853
(2S)-2-methylsulfonyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 94173164
2-(difluoromethoxy)-5-(2-methylpropyl)pyridine;ethane
CID 169136578
1-[(4-fluorophenyl)methyl]-2-methyl-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111233350
1-[(4-chlorophenyl)methyl]-2-methyl-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111131445
1-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 51953041
(6-pentan-2-yloxy-3-pyridinyl)methanamine
CID 102980166
1-butyl-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine
CID 111061095

Frequently Asked Questions

What is the IUPAC name of 5-(isocyanomethyl)-2-propan-2-yloxypyridine?
The IUPAC name of 5-(isocyanomethyl)-2-propan-2-yloxypyridine (CID 87652997) is 5-(isocyanomethyl)-2-propan-2-yloxypyridine.
What is the SMILES notation for 5-(isocyanomethyl)-2-propan-2-yloxypyridine?
The canonical SMILES for 5-(isocyanomethyl)-2-propan-2-yloxypyridine is [C-]#[N+]Cc1ccc(OC(C)C)nc1.
What is the InChIKey of 5-(isocyanomethyl)-2-propan-2-yloxypyridine?
The InChIKey is HBZBSFWNUBYFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-8(2)13-10-5-4-9(6-11-3)7-12-10/h4-5,7-8H,6H2,1-2H3.
What are the key properties of 5-(isocyanomethyl)-2-propan-2-yloxypyridine?
5-(isocyanomethyl)-2-propan-2-yloxypyridine has a molecular weight of 176.22 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(isocyanomethyl)-2-propan-2-yloxypyridine is sourced from PubChem (CID 87652997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).