2-(1-benzothiophen-2-yl)-4-chloropyrido[2,3-d]pyrimidine

C15H8ClN3S — CID 59130375

IUPAC2-(1-benzothiophen-2-yl)-4-chloropyrido[2,3-d]pyrimidine
SMILESClc1nc(-c2cc3ccccc3s2)nc2ncccc12
InChIInChI=1S/C15H8ClN3S/c16-13-10-5-3-7-17-14(10)19-15(18-13)12-8-9-4-1-2-6-11(9)20-12/h1-8H
InChIKeyVIILLCLNVSHWEG-UHFFFAOYSA-N
MW297.77 g/mol
LogP4.56
Rot. Bonds1

About 2-(1-benzothiophen-2-yl)-4-chloropyrido[2,3-d]pyrimidine

2-(1-benzothiophen-2-yl)-4-chloropyrido[2,3-d]pyrimidine (PubChem CID 59130375) has the molecular formula C15H8ClN3S and a molecular weight of 297.77 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-4-chloropyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-4-chloropyrido[2,3-d]pyrimidine
PubChem CID59130375
Molecular FormulaC15H8ClN3S
Molecular Weight297.77 g/mol
Exact Mass297.01
IUPAC Name2-(1-benzothiophen-2-yl)-4-chloropyrido[2,3-d]pyrimidine
SMILESClc1nc(-c2cc3ccccc3s2)nc2ncccc12
InChIInChI=1S/C15H8ClN3S/c16-13-10-5-3-7-17-14(10)19-15(18-13)12-8-9-4-1-2-6-11(9)20-12/h1-8H
InChIKeyVIILLCLNVSHWEG-UHFFFAOYSA-N
XLogP4.56
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzothiophen-2-yl)-4-chloro-8-fluoroquinazoline
CID 114590475
tris(2-(1-benzothiophen-2-yl)-3H-pyridin-3-ide);iridium(3+)
CID 87200937
2-(1-benzothiophen-2-yl)-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine
CID 146186744
2-(1-benzothiophen-2-yl)pyridine;methanol
CID 143810360
2-(1-benzothiophen-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146183055
2-(1-benzothiophen-2-yl)-6-chloroquinazolin-4-amine
CID 64983298
2-chloro-[1,3]thiazolo[4,5-b]pyridine
CID 51358428
4-(1-benzothiophen-2-yl)-2-pyridin-2-ylpyrimidine
CID 1485413
2-chloro-[1,3]thiazolo[4,5-b]pyridine;hydrochloride
CID 57482765
(4-chloropyrido[2,3-d]pyrimidin-2-yl)methanamine
CID 117274576
2-[13-(1-benzothiophen-2-yl)pentacen-6-yl]-1-benzothiophene
CID 86041165
5-(1-benzothiophen-2-yl)-6-chloropyrimidine-2,4-diamine
CID 91186613

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-4-chloropyrido[2,3-d]pyrimidine?
The IUPAC name of 2-(1-benzothiophen-2-yl)-4-chloropyrido[2,3-d]pyrimidine (CID 59130375) is 2-(1-benzothiophen-2-yl)-4-chloropyrido[2,3-d]pyrimidine.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-4-chloropyrido[2,3-d]pyrimidine?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-4-chloropyrido[2,3-d]pyrimidine is Clc1nc(-c2cc3ccccc3s2)nc2ncccc12.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-4-chloropyrido[2,3-d]pyrimidine?
The InChIKey is VIILLCLNVSHWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClN3S/c16-13-10-5-3-7-17-14(10)19-15(18-13)12-8-9-4-1-2-6-11(9)20-12/h1-8H.
What are the key properties of 2-(1-benzothiophen-2-yl)-4-chloropyrido[2,3-d]pyrimidine?
2-(1-benzothiophen-2-yl)-4-chloropyrido[2,3-d]pyrimidine has a molecular weight of 297.77 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-4-chloropyrido[2,3-d]pyrimidine is sourced from PubChem (CID 59130375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).