2-[4-(4-chloro-2-pyridinyl)thiophen-2-yl]propan-2-ol

C12H12ClNOS — CID 67387496

IUPAC2-[4-(4-chloro-2-pyridinyl)thiophen-2-yl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2cc(Cl)ccn2)cs1
InChIInChI=1S/C12H12ClNOS/c1-12(2,15)11-5-8(7-16-11)10-6-9(13)3-4-14-10/h3-7,15H,1-2H3
InChIKeyDKBNEMXNKGGSSC-UHFFFAOYSA-N
MW253.75 g/mol
LogP3.69
Rot. Bonds2

About 2-[4-(4-chloro-2-pyridinyl)thiophen-2-yl]propan-2-ol

2-[4-(4-chloro-2-pyridinyl)thiophen-2-yl]propan-2-ol (PubChem CID 67387496) has the molecular formula C12H12ClNOS and a molecular weight of 253.75 g/mol. Its IUPAC name is 2-[4-(4-chloro-2-pyridinyl)thiophen-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(4-chloro-2-pyridinyl)thiophen-2-yl]propan-2-ol
PubChem CID67387496
Molecular FormulaC12H12ClNOS
Molecular Weight253.75 g/mol
Exact Mass253.03
IUPAC Name2-[4-(4-chloro-2-pyridinyl)thiophen-2-yl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2cc(Cl)ccn2)cs1
InChIInChI=1S/C12H12ClNOS/c1-12(2,15)11-5-8(7-16-11)10-6-9(13)3-4-14-10/h3-7,15H,1-2H3
InChIKeyDKBNEMXNKGGSSC-UHFFFAOYSA-N
XLogP3.69
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chloro-2-pyridinyl)thiophen-2-yl]propan-2-ol?
The IUPAC name of 2-[4-(4-chloro-2-pyridinyl)thiophen-2-yl]propan-2-ol (CID 67387496) is 2-[4-(4-chloro-2-pyridinyl)thiophen-2-yl]propan-2-ol.
What is the SMILES notation for 2-[4-(4-chloro-2-pyridinyl)thiophen-2-yl]propan-2-ol?
The canonical SMILES for 2-[4-(4-chloro-2-pyridinyl)thiophen-2-yl]propan-2-ol is CC(C)(O)c1cc(-c2cc(Cl)ccn2)cs1.
What is the InChIKey of 2-[4-(4-chloro-2-pyridinyl)thiophen-2-yl]propan-2-ol?
The InChIKey is DKBNEMXNKGGSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNOS/c1-12(2,15)11-5-8(7-16-11)10-6-9(13)3-4-14-10/h3-7,15H,1-2H3.
What are the key properties of 2-[4-(4-chloro-2-pyridinyl)thiophen-2-yl]propan-2-ol?
2-[4-(4-chloro-2-pyridinyl)thiophen-2-yl]propan-2-ol has a molecular weight of 253.75 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chloro-2-pyridinyl)thiophen-2-yl]propan-2-ol is sourced from PubChem (CID 67387496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).