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2-Thien-2-ylisonicotinic acid

CAT: 0127-OR1003899-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1003899-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
893723-57-4
MDL Number
MFCD06496472
Purity
95%
Smiles
OC(=O)c1ccnc(c1)c2sccc2

Chemical Information

2-(Thiophen-2-yl)pyridine-4-carboxylic acid
CAS Number893723-57-4
PubChem CID4739102
IUPAC Name2-thiophen-2-ylpyridine-4-carboxylic acid
Molecular FormulaC10H7NO2S
Molecular Weight205.23
XLogP1.8
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity222
SMILES
C1=CSC(=C1)C2=NC=CC(=C2)C(=O)O
InChI
InChI=1S/C10H7NO2S/c12-10(13)7-3-4-11-8(6-7)9-2-1-5-14-9/h1-6H,(H,12,13)
InChIKey
FTGBWVKLXLHQPK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Thiophen-2-yl)pyridine-4-carboxylic acid
CAS: 893723-57-4
CID: 4739102
Formula: C10H7NO2S
MW: 205.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight205.23
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass205.01974964
Monoisotopic Mass205.01974964
Topological Polar Surface Area78.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity222
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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