(5-phenyl-1H-pyrrolo[2,3-c]pyridin-3-yl) cyanate

C14H9N3O — CID 153389436

IUPAC(5-phenyl-1H-pyrrolo[2,3-c]pyridin-3-yl) cyanate
SMILESN#COc1c[nH]c2cnc(-c3ccccc3)cc12
InChIInChI=1S/C14H9N3O/c15-9-18-14-8-17-13-7-16-12(6-11(13)14)10-4-2-1-3-5-10/h1-8,17H
InChIKeyMVFRFYGDPXOVPE-UHFFFAOYSA-N
MW235.25 g/mol
LogP3.09
Rot. Bonds2

About (5-phenyl-1H-pyrrolo[2,3-c]pyridin-3-yl) cyanate

(5-phenyl-1H-pyrrolo[2,3-c]pyridin-3-yl) cyanate (PubChem CID 153389436) has the molecular formula C14H9N3O and a molecular weight of 235.25 g/mol. Its IUPAC name is (5-phenyl-1H-pyrrolo[2,3-c]pyridin-3-yl) cyanate.

Molecular Properties

Compound Name(5-phenyl-1H-pyrrolo[2,3-c]pyridin-3-yl) cyanate
PubChem CID153389436
Molecular FormulaC14H9N3O
Molecular Weight235.25 g/mol
Exact Mass235.07
IUPAC Name(5-phenyl-1H-pyrrolo[2,3-c]pyridin-3-yl) cyanate
SMILESN#COc1c[nH]c2cnc(-c3ccccc3)cc12
InChIInChI=1S/C14H9N3O/c15-9-18-14-8-17-13-7-16-12(6-11(13)14)10-4-2-1-3-5-10/h1-8,17H
InChIKeyMVFRFYGDPXOVPE-UHFFFAOYSA-N
XLogP3.09
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

5-phenyl-3-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137284667
6-phenyl-3H-imidazo[4,5-c]pyridine
CID 76848036
5-chloro-3-phenyl-1H-pyrrolo[2,3-c]pyridine
CID 11481594
3-phenyl-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253840
5-ethoxy-2-phenylpyridine-4-carbonitrile
CID 132588886
3-(4-phenylphenyl)phenanthro[9,10-c]pyridine
CID 59575272
2,5-diphenyl-1H-pyrrolo[2,3-c]pyridine
CID 131847490
4,6-diphenylpyrimidine;iridium(3+)
CID 160559843
2-[5-(2,6-diethylphenyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]acetonitrile
CID 67152507
3-[3-(3-phenanthro[9,10-c]pyridin-3-ylphenyl)phenyl]phenanthro[9,10-c]pyridine
CID 59575267
2-[3-[4-[3-(4-cyano-2-pyridinyl)phenyl]-2,3-diphenylnaphthalen-1-yl]phenyl]pyridine-4-carbonitrile
CID 118397675
(4-carboxyoxy-6-phenyl-3-pyridinyl) hydrogen carbonate
CID 67801481

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1H-pyrrolo[2,3-c]pyridin-3-yl) cyanate?
The IUPAC name of (5-phenyl-1H-pyrrolo[2,3-c]pyridin-3-yl) cyanate (CID 153389436) is (5-phenyl-1H-pyrrolo[2,3-c]pyridin-3-yl) cyanate.
What is the SMILES notation for (5-phenyl-1H-pyrrolo[2,3-c]pyridin-3-yl) cyanate?
The canonical SMILES for (5-phenyl-1H-pyrrolo[2,3-c]pyridin-3-yl) cyanate is N#COc1c[nH]c2cnc(-c3ccccc3)cc12.
What is the InChIKey of (5-phenyl-1H-pyrrolo[2,3-c]pyridin-3-yl) cyanate?
The InChIKey is MVFRFYGDPXOVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O/c15-9-18-14-8-17-13-7-16-12(6-11(13)14)10-4-2-1-3-5-10/h1-8,17H.
What are the key properties of (5-phenyl-1H-pyrrolo[2,3-c]pyridin-3-yl) cyanate?
(5-phenyl-1H-pyrrolo[2,3-c]pyridin-3-yl) cyanate has a molecular weight of 235.25 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1H-pyrrolo[2,3-c]pyridin-3-yl) cyanate is sourced from PubChem (CID 153389436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).