(3-chlorothiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol

C13H14ClNO2S — CID 115829414

IUPAC(3-chlorothiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol
SMILESCC(C)Oc1cncc(C(O)c2sccc2Cl)c1
InChIInChI=1S/C13H14ClNO2S/c1-8(2)17-10-5-9(6-15-7-10)12(16)13-11(14)3-4-18-13/h3-8,12,16H,1-2H3
InChIKeyAUBOTPOXXVKTQG-UHFFFAOYSA-N
MW283.78 g/mol
LogP3.67
Rot. Bonds4

About (3-chlorothiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol

(3-chlorothiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol (PubChem CID 115829414) has the molecular formula C13H14ClNO2S and a molecular weight of 283.78 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol
PubChem CID115829414
Molecular FormulaC13H14ClNO2S
Molecular Weight283.78 g/mol
Exact Mass283.04
IUPAC Name(3-chlorothiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol
SMILESCC(C)Oc1cncc(C(O)c2sccc2Cl)c1
InChIInChI=1S/C13H14ClNO2S/c1-8(2)17-10-5-9(6-15-7-10)12(16)13-11(14)3-4-18-13/h3-8,12,16H,1-2H3
InChIKeyAUBOTPOXXVKTQG-UHFFFAOYSA-N
XLogP3.67
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-2-pyridinyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 103443499
[(3-bromothiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105330543
N-[(3-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 105027336
(3-iodophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 115829366
(3-chloro-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 103407087
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
(3-chloro-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027392
(5-propan-2-yloxy-3-pyridinyl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 115829389
1-(4-bromo-3-chlorophenyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027547
(2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 115829386
(2,4-dichlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027357
(3-methoxythiophen-2-yl)-(3-propan-2-yloxyphenyl)methanol
CID 115824055

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol?
The IUPAC name of (3-chlorothiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol (CID 115829414) is (3-chlorothiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol?
The canonical SMILES for (3-chlorothiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol is CC(C)Oc1cncc(C(O)c2sccc2Cl)c1.
What is the InChIKey of (3-chlorothiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol?
The InChIKey is AUBOTPOXXVKTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2S/c1-8(2)17-10-5-9(6-15-7-10)12(16)13-11(14)3-4-18-13/h3-8,12,16H,1-2H3.
What are the key properties of (3-chlorothiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol?
(3-chlorothiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol has a molecular weight of 283.78 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol is sourced from PubChem (CID 115829414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).