2-chloro-6-quinazolin-4-ylsulfanylpyridine-4-carbonitrile

C14H7ClN4S — CID 83077433

IUPAC2-chloro-6-quinazolin-4-ylsulfanylpyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(Sc2ncnc3ccccc23)c1
InChIInChI=1S/C14H7ClN4S/c15-12-5-9(7-16)6-13(19-12)20-14-10-3-1-2-4-11(10)17-8-18-14/h1-6,8H
InChIKeyCUYOJHYAJQHAGW-UHFFFAOYSA-N
MW298.76 g/mol
LogP3.70
Rot. Bonds2

About 2-chloro-6-quinazolin-4-ylsulfanylpyridine-4-carbonitrile

2-chloro-6-quinazolin-4-ylsulfanylpyridine-4-carbonitrile (PubChem CID 83077433) has the molecular formula C14H7ClN4S and a molecular weight of 298.76 g/mol. Its IUPAC name is 2-chloro-6-quinazolin-4-ylsulfanylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-quinazolin-4-ylsulfanylpyridine-4-carbonitrile
PubChem CID83077433
Molecular FormulaC14H7ClN4S
Molecular Weight298.76 g/mol
Exact Mass298.01
IUPAC Name2-chloro-6-quinazolin-4-ylsulfanylpyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(Sc2ncnc3ccccc23)c1
InChIInChI=1S/C14H7ClN4S/c15-12-5-9(7-16)6-13(19-12)20-14-10-3-1-2-4-11(10)17-8-18-14/h1-6,8H
InChIKeyCUYOJHYAJQHAGW-UHFFFAOYSA-N
XLogP3.70
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.76
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-quinazolin-4-ylsulfanylpyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-quinazolin-4-ylsulfanylpyridine-4-carbonitrile (CID 83077433) is 2-chloro-6-quinazolin-4-ylsulfanylpyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-quinazolin-4-ylsulfanylpyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-quinazolin-4-ylsulfanylpyridine-4-carbonitrile is N#Cc1cc(Cl)nc(Sc2ncnc3ccccc23)c1.
What is the InChIKey of 2-chloro-6-quinazolin-4-ylsulfanylpyridine-4-carbonitrile?
The InChIKey is CUYOJHYAJQHAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClN4S/c15-12-5-9(7-16)6-13(19-12)20-14-10-3-1-2-4-11(10)17-8-18-14/h1-6,8H.
What are the key properties of 2-chloro-6-quinazolin-4-ylsulfanylpyridine-4-carbonitrile?
2-chloro-6-quinazolin-4-ylsulfanylpyridine-4-carbonitrile has a molecular weight of 298.76 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-quinazolin-4-ylsulfanylpyridine-4-carbonitrile is sourced from PubChem (CID 83077433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).