(2-chloro-3-pyridinyl)-(1,3-thiazol-2-yl)methanol

C9H7ClN2OS — CID 54170926

IUPAC(2-chloro-3-pyridinyl)-(1,3-thiazol-2-yl)methanol
SMILESOC(c1nccs1)c1cccnc1Cl
InChIInChI=1S/C9H7ClN2OS/c10-8-6(2-1-3-11-8)7(13)9-12-4-5-14-9/h1-5,7,13H
InChIKeyOUYWMQDWZUYPED-UHFFFAOYSA-N
MW226.69 g/mol
LogP2.27
Rot. Bonds2

About (2-chloro-3-pyridinyl)-(1,3-thiazol-2-yl)methanol

(2-chloro-3-pyridinyl)-(1,3-thiazol-2-yl)methanol (PubChem CID 54170926) has the molecular formula C9H7ClN2OS and a molecular weight of 226.69 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)-(1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)-(1,3-thiazol-2-yl)methanol
PubChem CID54170926
Molecular FormulaC9H7ClN2OS
Molecular Weight226.69 g/mol
Exact Mass226.00
IUPAC Name(2-chloro-3-pyridinyl)-(1,3-thiazol-2-yl)methanol
SMILESOC(c1nccs1)c1cccnc1Cl
InChIInChI=1S/C9H7ClN2OS/c10-8-6(2-1-3-11-8)7(13)9-12-4-5-14-9/h1-5,7,13H
InChIKeyOUYWMQDWZUYPED-UHFFFAOYSA-N
XLogP2.27
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-pyridinyl)-(1,3-thiazol-2-yl)methanol?
The IUPAC name of (2-chloro-3-pyridinyl)-(1,3-thiazol-2-yl)methanol (CID 54170926) is (2-chloro-3-pyridinyl)-(1,3-thiazol-2-yl)methanol.
What is the SMILES notation for (2-chloro-3-pyridinyl)-(1,3-thiazol-2-yl)methanol?
The canonical SMILES for (2-chloro-3-pyridinyl)-(1,3-thiazol-2-yl)methanol is OC(c1nccs1)c1cccnc1Cl.
What is the InChIKey of (2-chloro-3-pyridinyl)-(1,3-thiazol-2-yl)methanol?
The InChIKey is OUYWMQDWZUYPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2OS/c10-8-6(2-1-3-11-8)7(13)9-12-4-5-14-9/h1-5,7,13H.
What are the key properties of (2-chloro-3-pyridinyl)-(1,3-thiazol-2-yl)methanol?
(2-chloro-3-pyridinyl)-(1,3-thiazol-2-yl)methanol has a molecular weight of 226.69 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)-(1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 54170926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).