4-(4-chloro-3-fluorophenoxy)thieno[2,3-c]pyridine-2-carboxamide

C14H8ClFN2O2S — CID 10892642

IUPAC4-(4-chloro-3-fluorophenoxy)thieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2c(Oc3ccc(Cl)c(F)c3)cncc2s1
InChIInChI=1S/C14H8ClFN2O2S/c15-9-2-1-7(3-10(9)16)20-11-5-18-6-13-8(11)4-12(21-13)14(17)19/h1-6H,(H2,17,19)
InChIKeyRLPRYNHUBJVIBD-UHFFFAOYSA-N
MW322.75 g/mol
LogP3.98
Rot. Bonds3

About 4-(4-chloro-3-fluorophenoxy)thieno[2,3-c]pyridine-2-carboxamide

4-(4-chloro-3-fluorophenoxy)thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 10892642) has the molecular formula C14H8ClFN2O2S and a molecular weight of 322.75 g/mol. Its IUPAC name is 4-(4-chloro-3-fluorophenoxy)thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-3-fluorophenoxy)thieno[2,3-c]pyridine-2-carboxamide
PubChem CID10892642
Molecular FormulaC14H8ClFN2O2S
Molecular Weight322.75 g/mol
Exact Mass322.00
IUPAC Name4-(4-chloro-3-fluorophenoxy)thieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2c(Oc3ccc(Cl)c(F)c3)cncc2s1
InChIInChI=1S/C14H8ClFN2O2S/c15-9-2-1-7(3-10(9)16)20-11-5-18-6-13-8(11)4-12(21-13)14(17)19/h1-6H,(H2,17,19)
InChIKeyRLPRYNHUBJVIBD-UHFFFAOYSA-N
XLogP3.98
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-fluorophenoxy)thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-(4-chloro-3-fluorophenoxy)thieno[2,3-c]pyridine-2-carboxamide (CID 10892642) is 4-(4-chloro-3-fluorophenoxy)thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-chloro-3-fluorophenoxy)thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-chloro-3-fluorophenoxy)thieno[2,3-c]pyridine-2-carboxamide is NC(=O)c1cc2c(Oc3ccc(Cl)c(F)c3)cncc2s1.
What is the InChIKey of 4-(4-chloro-3-fluorophenoxy)thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is RLPRYNHUBJVIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O2S/c15-9-2-1-7(3-10(9)16)20-11-5-18-6-13-8(11)4-12(21-13)14(17)19/h1-6H,(H2,17,19).
What are the key properties of 4-(4-chloro-3-fluorophenoxy)thieno[2,3-c]pyridine-2-carboxamide?
4-(4-chloro-3-fluorophenoxy)thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 322.75 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-fluorophenoxy)thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 10892642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).