(7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate

C14H8ClN3S — CID 162411635

IUPAC(7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate
SMILESN#CSc1c(-c2ccccc2)nc2cc(Cl)ccn12
InChIInChI=1S/C14H8ClN3S/c15-11-6-7-18-12(8-11)17-13(14(18)19-9-16)10-4-2-1-3-5-10/h1-8H
InChIKeyWDXONFAWNZXETF-UHFFFAOYSA-N
MW285.76 g/mol
LogP4.23
Rot. Bonds2

About (7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate

(7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate (PubChem CID 162411635) has the molecular formula C14H8ClN3S and a molecular weight of 285.76 g/mol. Its IUPAC name is (7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate.

Molecular Properties

Compound Name(7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate
PubChem CID162411635
Molecular FormulaC14H8ClN3S
Molecular Weight285.76 g/mol
Exact Mass285.01
IUPAC Name(7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate
SMILESN#CSc1c(-c2ccccc2)nc2cc(Cl)ccn12
InChIInChI=1S/C14H8ClN3S/c15-11-6-7-18-12(8-11)17-13(14(18)19-9-16)10-4-2-1-3-5-10/h1-8H
InChIKeyWDXONFAWNZXETF-UHFFFAOYSA-N
XLogP4.23
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6-cyano-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate
CID 122229422
3-(3-chlorophenyl)sulfanyl-2-phenylimidazo[1,2-a]pyridine
CID 138982066
2-(7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile
CID 82529975
7-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 82343144
7-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 82343145
7-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 82343141
2,7-dichloroimidazo[1,2-a]pyridine-3-carbonitrile
CID 82343163
7-chloro-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine
CID 82529956
2-(7-chloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 82530035
7-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 82356194
2-[7-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82343208
7-chloro-2-(4-phenylphenyl)imidazo[1,2-a]pyridine bromide
CID 21203031

Frequently Asked Questions

What is the IUPAC name of (7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate?
The IUPAC name of (7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate (CID 162411635) is (7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate.
What is the SMILES notation for (7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate?
The canonical SMILES for (7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate is N#CSc1c(-c2ccccc2)nc2cc(Cl)ccn12.
What is the InChIKey of (7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate?
The InChIKey is WDXONFAWNZXETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3S/c15-11-6-7-18-12(8-11)17-13(14(18)19-9-16)10-4-2-1-3-5-10/h1-8H.
What are the key properties of (7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate?
(7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate has a molecular weight of 285.76 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate is sourced from PubChem (CID 162411635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).