(4-chlorothiophen-2-yl)-pyridin-3-ylmethanol

C10H8ClNOS — CID 79428213

IUPAC(4-chlorothiophen-2-yl)-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1cc(Cl)cs1
InChIInChI=1S/C10H8ClNOS/c11-8-4-9(14-6-8)10(13)7-2-1-3-12-5-7/h1-6,10,13H
InChIKeyBWMKLJJWMUDZJJ-UHFFFAOYSA-N
MW225.70 g/mol
LogP2.88
Rot. Bonds2

About (4-chlorothiophen-2-yl)-pyridin-3-ylmethanol

(4-chlorothiophen-2-yl)-pyridin-3-ylmethanol (PubChem CID 79428213) has the molecular formula C10H8ClNOS and a molecular weight of 225.70 g/mol. Its IUPAC name is (4-chlorothiophen-2-yl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(4-chlorothiophen-2-yl)-pyridin-3-ylmethanol
PubChem CID79428213
Molecular FormulaC10H8ClNOS
Molecular Weight225.70 g/mol
Exact Mass225.00
IUPAC Name(4-chlorothiophen-2-yl)-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1cc(Cl)cs1
InChIInChI=1S/C10H8ClNOS/c11-8-4-9(14-6-8)10(13)7-2-1-3-12-5-7/h1-6,10,13H
InChIKeyBWMKLJJWMUDZJJ-UHFFFAOYSA-N
XLogP2.88
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dichlorophenyl)-pyridin-3-ylmethanol
CID 63900537
[5-(4-chlorophenyl)-3-(5-chlorothiophen-3-yl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59674978
[2,4-bis(2,4-dichlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
CID 24745417
1-benzothiophen-3-yl(pyridin-3-yl)methanol
CID 61087457
pyridin-3-yl(pyrimidin-2-yl)methanol
CID 54244340
2-(3-chloro-4-pyridinyl)-1-(4-chlorothiophen-2-yl)ethanol
CID 79427524
[4-(2,4-dichlorophenyl)-2-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol
CID 58463365
(2,4-diphenylthiophen-3-yl)-pyridin-3-ylmethanol
CID 24745262
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyridin-3-yl)methanol
CID 114980045
(2-chloro-4-fluorophenyl)-pyridin-3-ylmethanol
CID 62945841
[2-(3-chlorophenyl)-4,5-dimethylthiophen-3-yl]-pyridin-3-ylmethanol
CID 24745420
(4-chlorothiophen-2-yl)-(2-methylquinolin-6-yl)methanol
CID 81216435

Frequently Asked Questions

What is the IUPAC name of (4-chlorothiophen-2-yl)-pyridin-3-ylmethanol?
The IUPAC name of (4-chlorothiophen-2-yl)-pyridin-3-ylmethanol (CID 79428213) is (4-chlorothiophen-2-yl)-pyridin-3-ylmethanol.
What is the SMILES notation for (4-chlorothiophen-2-yl)-pyridin-3-ylmethanol?
The canonical SMILES for (4-chlorothiophen-2-yl)-pyridin-3-ylmethanol is OC(c1cccnc1)c1cc(Cl)cs1.
What is the InChIKey of (4-chlorothiophen-2-yl)-pyridin-3-ylmethanol?
The InChIKey is BWMKLJJWMUDZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNOS/c11-8-4-9(14-6-8)10(13)7-2-1-3-12-5-7/h1-6,10,13H.
What are the key properties of (4-chlorothiophen-2-yl)-pyridin-3-ylmethanol?
(4-chlorothiophen-2-yl)-pyridin-3-ylmethanol has a molecular weight of 225.70 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorothiophen-2-yl)-pyridin-3-ylmethanol is sourced from PubChem (CID 79428213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).