2-(2-chlorothieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile

C13H5ClFN3OS — CID 103320002

IUPAC2-(2-chlorothieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1Oc1nc(Cl)nc2sccc12
InChIInChI=1S/C13H5ClFN3OS/c14-13-17-11(7-4-5-20-12(7)18-13)19-10-3-1-2-9(15)8(10)6-16/h1-5H
InChIKeyAKYZBUBVZGAYNI-UHFFFAOYSA-N
MW305.72 g/mol
LogP4.15
Rot. Bonds2

About 2-(2-chlorothieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile

2-(2-chlorothieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile (PubChem CID 103320002) has the molecular formula C13H5ClFN3OS and a molecular weight of 305.72 g/mol. Its IUPAC name is 2-(2-chlorothieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(2-chlorothieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile
PubChem CID103320002
Molecular FormulaC13H5ClFN3OS
Molecular Weight305.72 g/mol
Exact Mass304.98
IUPAC Name2-(2-chlorothieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1Oc1nc(Cl)nc2sccc12
InChIInChI=1S/C13H5ClFN3OS/c14-13-17-11(7-4-5-20-12(7)18-13)19-10-3-1-2-9(15)8(10)6-16/h1-5H
InChIKeyAKYZBUBVZGAYNI-UHFFFAOYSA-N
XLogP4.15
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile
CID 133405453
2-chloro-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine
CID 103319903
2-chloro-4-(2,6-dimethoxyphenoxy)thieno[2,3-d]pyrimidine
CID 103319866
4-(5-bromo-2,3-difluorophenoxy)-2-chlorothieno[2,3-d]pyrimidine
CID 107098065
2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzonitrile
CID 83153340
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)oxy]-6-fluorobenzonitrile
CID 62859550
4-(3-chloro-2-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333492
4-(2,3-difluorophenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332516
2-[(5-chloro-2-pyridinyl)oxy]-6-fluorobenzonitrile
CID 66234121
2-(4-chloro-2,6-dimethylphenoxy)-6-fluorobenzonitrile
CID 79513408
2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)thieno[2,3-d]pyrimidine
CID 103320173
2-[(6-chloro-3-pyridinyl)oxy]-6-fluorobenzonitrile
CID 133384052

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorothieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile?
The IUPAC name of 2-(2-chlorothieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile (CID 103320002) is 2-(2-chlorothieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile.
What is the SMILES notation for 2-(2-chlorothieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile?
The canonical SMILES for 2-(2-chlorothieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile is N#Cc1c(F)cccc1Oc1nc(Cl)nc2sccc12.
What is the InChIKey of 2-(2-chlorothieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile?
The InChIKey is AKYZBUBVZGAYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5ClFN3OS/c14-13-17-11(7-4-5-20-12(7)18-13)19-10-3-1-2-9(15)8(10)6-16/h1-5H.
What are the key properties of 2-(2-chlorothieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile?
2-(2-chlorothieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile has a molecular weight of 305.72 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorothieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile is sourced from PubChem (CID 103320002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).