5-isocyanato-3-methyl-2-phenylpyridine

C13H10N2O — CID 83916757

IUPAC5-isocyanato-3-methyl-2-phenylpyridine
SMILESCc1cc(N=C=O)cnc1-c1ccccc1
InChIInChI=1S/C13H10N2O/c1-10-7-12(15-9-16)8-14-13(10)11-5-3-2-4-6-11/h2-8H,1H3
InChIKeyPUSKWVJYIUYQIV-UHFFFAOYSA-N
MW210.24 g/mol
LogP3.02
Rot. Bonds2

About 5-isocyanato-3-methyl-2-phenylpyridine

5-isocyanato-3-methyl-2-phenylpyridine (PubChem CID 83916757) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-isocyanato-3-methyl-2-phenylpyridine.

Molecular Properties

Compound Name5-isocyanato-3-methyl-2-phenylpyridine
PubChem CID83916757
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name5-isocyanato-3-methyl-2-phenylpyridine
SMILESCc1cc(N=C=O)cnc1-c1ccccc1
InChIInChI=1S/C13H10N2O/c1-10-7-12(15-9-16)8-14-13(10)11-5-3-2-4-6-11/h2-8H,1H3
InChIKeyPUSKWVJYIUYQIV-UHFFFAOYSA-N
XLogP3.02
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-3-methyl-2-phenylpyridine
CID 46314858
(5-methyl-6-phenyl-3-pyridinyl)carbamic acid
CID 174191032
1-isocyanato-4-(4-phenylphenyl)benzene
CID 146595382
3-isocyanato-5-methyl-4-phenylpyridine
CID 83916756
isocyanatobenzene;1-isocyanato-4-methylbenzene
CID 20510749
3,4,5-trimethyl-2-phenylpyridine
CID 59359504
2,4-diisocyanato-1-methylbenzene;isocyanatobenzene
CID 87329283
isocyanatobenzene;methylsulfanylmethane
CID 160823908
4-isocyanato-3-methyl-5-phenyl-1,2-oxazole
CID 2776517
4-chloro-5-methyl-2,3-diphenylpyridine
CID 164527932
3-(5-isocyanato-2-pyridinyl)phenol
CID 115027764
6-isocyanato-2-methyl-[1,3]thiazolo[5,4-b]pyridine
CID 22446631

Frequently Asked Questions

What is the IUPAC name of 5-isocyanato-3-methyl-2-phenylpyridine?
The IUPAC name of 5-isocyanato-3-methyl-2-phenylpyridine (CID 83916757) is 5-isocyanato-3-methyl-2-phenylpyridine.
What is the SMILES notation for 5-isocyanato-3-methyl-2-phenylpyridine?
The canonical SMILES for 5-isocyanato-3-methyl-2-phenylpyridine is Cc1cc(N=C=O)cnc1-c1ccccc1.
What is the InChIKey of 5-isocyanato-3-methyl-2-phenylpyridine?
The InChIKey is PUSKWVJYIUYQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c1-10-7-12(15-9-16)8-14-13(10)11-5-3-2-4-6-11/h2-8H,1H3.
What are the key properties of 5-isocyanato-3-methyl-2-phenylpyridine?
5-isocyanato-3-methyl-2-phenylpyridine has a molecular weight of 210.24 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isocyanato-3-methyl-2-phenylpyridine is sourced from PubChem (CID 83916757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).