2-chloro-5-thieno[3,2-c]pyridin-4-yloxybenzoic acid

C14H8ClNO3S — CID 106502824

IUPAC2-chloro-5-thieno[3,2-c]pyridin-4-yloxybenzoic acid
SMILESO=C(O)c1cc(Oc2nccc3sccc23)ccc1Cl
InChIInChI=1S/C14H8ClNO3S/c15-11-2-1-8(7-10(11)14(17)18)19-13-9-4-6-20-12(9)3-5-16-13/h1-7H,(H,17,18)
InChIKeyDQECIIUBEIBHKY-UHFFFAOYSA-N
MW305.74 g/mol
LogP4.44
Rot. Bonds3

About 2-chloro-5-thieno[3,2-c]pyridin-4-yloxybenzoic acid

2-chloro-5-thieno[3,2-c]pyridin-4-yloxybenzoic acid (PubChem CID 106502824) has the molecular formula C14H8ClNO3S and a molecular weight of 305.74 g/mol. Its IUPAC name is 2-chloro-5-thieno[3,2-c]pyridin-4-yloxybenzoic acid.

Molecular Properties

Compound Name2-chloro-5-thieno[3,2-c]pyridin-4-yloxybenzoic acid
PubChem CID106502824
Molecular FormulaC14H8ClNO3S
Molecular Weight305.74 g/mol
Exact Mass304.99
IUPAC Name2-chloro-5-thieno[3,2-c]pyridin-4-yloxybenzoic acid
SMILESO=C(O)c1cc(Oc2nccc3sccc23)ccc1Cl
InChIInChI=1S/C14H8ClNO3S/c15-11-2-1-8(7-10(11)14(17)18)19-13-9-4-6-20-12(9)3-5-16-13/h1-7H,(H,17,18)
InChIKeyDQECIIUBEIBHKY-UHFFFAOYSA-N
XLogP4.44
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-chloro-4-(4,6-dimethylpyrimidin-5-yl)phenoxy]thieno[3,2-c]pyridine
CID 118470777
4-methyl-3-thieno[3,2-c]pyridin-4-yloxybenzoic acid
CID 61396222
2-chloro-5-(3-cyanopyrazin-2-yl)oxybenzoic acid
CID 106502963
2-chloro-5-[(5-chloro-3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 106502943
2-chloro-5-(5-chloropyrimidin-4-yl)oxybenzoic acid
CID 106502849
5-[(2-carbamoyl-4-pyridinyl)oxy]-2-chlorobenzoic acid
CID 106502994
thieno[3,2-c]pyridin-4-yl trifluoromethanesulfonate
CID 169135002
2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 176902739
2-chloro-5-(5-fluoro-6-methylpyrimidin-4-yl)oxybenzoic acid
CID 114045793
2-amino-5-[(3,5-dichloro-2-pyridinyl)oxy]benzoic acid
CID 43566444
2-methyl-4-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid
CID 107672534
N-methyl-1-(3-thieno[3,2-c]pyridin-4-yloxyphenyl)methanamine
CID 106486410

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-thieno[3,2-c]pyridin-4-yloxybenzoic acid?
The IUPAC name of 2-chloro-5-thieno[3,2-c]pyridin-4-yloxybenzoic acid (CID 106502824) is 2-chloro-5-thieno[3,2-c]pyridin-4-yloxybenzoic acid.
What is the SMILES notation for 2-chloro-5-thieno[3,2-c]pyridin-4-yloxybenzoic acid?
The canonical SMILES for 2-chloro-5-thieno[3,2-c]pyridin-4-yloxybenzoic acid is O=C(O)c1cc(Oc2nccc3sccc23)ccc1Cl.
What is the InChIKey of 2-chloro-5-thieno[3,2-c]pyridin-4-yloxybenzoic acid?
The InChIKey is DQECIIUBEIBHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO3S/c15-11-2-1-8(7-10(11)14(17)18)19-13-9-4-6-20-12(9)3-5-16-13/h1-7H,(H,17,18).
What are the key properties of 2-chloro-5-thieno[3,2-c]pyridin-4-yloxybenzoic acid?
2-chloro-5-thieno[3,2-c]pyridin-4-yloxybenzoic acid has a molecular weight of 305.74 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-thieno[3,2-c]pyridin-4-yloxybenzoic acid is sourced from PubChem (CID 106502824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).