4-[2-(2-chloro-5-fluoropyrimidin-4-yl)-1-benzothiophen-7-yl]pyridin-3-ol

C17H9ClFN3OS — CID 86640256

IUPAC4-[2-(2-chloro-5-fluoropyrimidin-4-yl)-1-benzothiophen-7-yl]pyridin-3-ol
SMILESOc1cnccc1-c1cccc2cc(-c3nc(Cl)ncc3F)sc12
InChIInChI=1S/C17H9ClFN3OS/c18-17-21-7-12(19)15(22-17)14-6-9-2-1-3-11(16(9)24-14)10-4-5-20-8-13(10)23/h1-8,23H
InChIKeyIJZNIWPHSCQVJU-UHFFFAOYSA-N
MW357.80 g/mol
LogP4.92
Rot. Bonds2

About 4-[2-(2-chloro-5-fluoropyrimidin-4-yl)-1-benzothiophen-7-yl]pyridin-3-ol

4-[2-(2-chloro-5-fluoropyrimidin-4-yl)-1-benzothiophen-7-yl]pyridin-3-ol (PubChem CID 86640256) has the molecular formula C17H9ClFN3OS and a molecular weight of 357.80 g/mol. Its IUPAC name is 4-[2-(2-chloro-5-fluoropyrimidin-4-yl)-1-benzothiophen-7-yl]pyridin-3-ol.

Molecular Properties

Compound Name4-[2-(2-chloro-5-fluoropyrimidin-4-yl)-1-benzothiophen-7-yl]pyridin-3-ol
PubChem CID86640256
Molecular FormulaC17H9ClFN3OS
Molecular Weight357.80 g/mol
Exact Mass357.01
IUPAC Name4-[2-(2-chloro-5-fluoropyrimidin-4-yl)-1-benzothiophen-7-yl]pyridin-3-ol
SMILESOc1cnccc1-c1cccc2cc(-c3nc(Cl)ncc3F)sc12
InChIInChI=1S/C17H9ClFN3OS/c18-17-21-7-12(19)15(22-17)14-6-9-2-1-3-11(16(9)24-14)10-4-5-20-8-13(10)23/h1-8,23H
InChIKeyIJZNIWPHSCQVJU-UHFFFAOYSA-N
XLogP4.92
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromo-2-chloropyrimidin-4-yl)thieno[3,2-c]pyridine
CID 57428873
[7-(3-chloro-4-pyridinyl)-1-benzothiophen-2-yl]methanol
CID 166359967
1-[2-[[4-[7-(3-ethynyl-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
CID 24936974
4-(2-chloro-5-fluoropyrimidin-4-yl)isoquinoline
CID 79080109
2-chloro-4-(7-chloro-1-benzofuran-2-yl)-5-fluoropyrimidine
CID 114734336
1-[2-[[4-[7-(5-chloro-2-fluoro-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
CID 24938010
[1-[4-[2-(2-chloropyrimidin-4-yl)-1-benzothiophen-7-yl]-6-fluoro-3-pyridinyl]-2-methylpropan-2-yl] carbamate
CID 150307986
5-(2-chloro-5-fluoropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazole
CID 164588484
1-[2-[[4-[7-(2-chloro-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
CID 24938008
5-fluoro-4-[7-(2-fluoro-5-methyl-4-pyridinyl)-1-benzothiophen-2-yl]-N-[2-(triazol-1-yl)ethyl]pyrimidin-2-amine
CID 25120564
(1R)-1-[6-fluoro-4-[2-[5-fluoro-2-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]-1-benzothiophen-7-yl]-3-pyridinyl]ethanol
CID 25121616
5-fluoro-4-[7-(2-methoxyphenyl)-1-benzothiophen-2-yl]-N-[2-(triazol-1-yl)ethyl]pyrimidin-2-amine
CID 59272452

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloro-5-fluoropyrimidin-4-yl)-1-benzothiophen-7-yl]pyridin-3-ol?
The IUPAC name of 4-[2-(2-chloro-5-fluoropyrimidin-4-yl)-1-benzothiophen-7-yl]pyridin-3-ol (CID 86640256) is 4-[2-(2-chloro-5-fluoropyrimidin-4-yl)-1-benzothiophen-7-yl]pyridin-3-ol.
What is the SMILES notation for 4-[2-(2-chloro-5-fluoropyrimidin-4-yl)-1-benzothiophen-7-yl]pyridin-3-ol?
The canonical SMILES for 4-[2-(2-chloro-5-fluoropyrimidin-4-yl)-1-benzothiophen-7-yl]pyridin-3-ol is Oc1cnccc1-c1cccc2cc(-c3nc(Cl)ncc3F)sc12.
What is the InChIKey of 4-[2-(2-chloro-5-fluoropyrimidin-4-yl)-1-benzothiophen-7-yl]pyridin-3-ol?
The InChIKey is IJZNIWPHSCQVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClFN3OS/c18-17-21-7-12(19)15(22-17)14-6-9-2-1-3-11(16(9)24-14)10-4-5-20-8-13(10)23/h1-8,23H.
What are the key properties of 4-[2-(2-chloro-5-fluoropyrimidin-4-yl)-1-benzothiophen-7-yl]pyridin-3-ol?
4-[2-(2-chloro-5-fluoropyrimidin-4-yl)-1-benzothiophen-7-yl]pyridin-3-ol has a molecular weight of 357.80 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloro-5-fluoropyrimidin-4-yl)-1-benzothiophen-7-yl]pyridin-3-ol is sourced from PubChem (CID 86640256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).