(5-chloro-1,3-thiazol-2-yl)-(5-fluoro-3-pyridinyl)methanol

C9H6ClFN2OS — CID 107124895

IUPAC(5-chloro-1,3-thiazol-2-yl)-(5-fluoro-3-pyridinyl)methanol
SMILESOC(c1cncc(F)c1)c1ncc(Cl)s1
InChIInChI=1S/C9H6ClFN2OS/c10-7-4-13-9(15-7)8(14)5-1-6(11)3-12-2-5/h1-4,8,14H
InChIKeyRFHAZHGRCVTTAN-UHFFFAOYSA-N
MW244.68 g/mol
LogP2.41
Rot. Bonds2

About (5-chloro-1,3-thiazol-2-yl)-(5-fluoro-3-pyridinyl)methanol

(5-chloro-1,3-thiazol-2-yl)-(5-fluoro-3-pyridinyl)methanol (PubChem CID 107124895) has the molecular formula C9H6ClFN2OS and a molecular weight of 244.68 g/mol. Its IUPAC name is (5-chloro-1,3-thiazol-2-yl)-(5-fluoro-3-pyridinyl)methanol.

Molecular Properties

Compound Name(5-chloro-1,3-thiazol-2-yl)-(5-fluoro-3-pyridinyl)methanol
PubChem CID107124895
Molecular FormulaC9H6ClFN2OS
Molecular Weight244.68 g/mol
Exact Mass243.99
IUPAC Name(5-chloro-1,3-thiazol-2-yl)-(5-fluoro-3-pyridinyl)methanol
SMILESOC(c1cncc(F)c1)c1ncc(Cl)s1
InChIInChI=1S/C9H6ClFN2OS/c10-7-4-13-9(15-7)8(14)5-1-6(11)3-12-2-5/h1-4,8,14H
InChIKeyRFHAZHGRCVTTAN-UHFFFAOYSA-N
XLogP2.41
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,3-thiazol-2-yl)-(5-fluoro-3-pyridinyl)methanol?
The IUPAC name of (5-chloro-1,3-thiazol-2-yl)-(5-fluoro-3-pyridinyl)methanol (CID 107124895) is (5-chloro-1,3-thiazol-2-yl)-(5-fluoro-3-pyridinyl)methanol.
What is the SMILES notation for (5-chloro-1,3-thiazol-2-yl)-(5-fluoro-3-pyridinyl)methanol?
The canonical SMILES for (5-chloro-1,3-thiazol-2-yl)-(5-fluoro-3-pyridinyl)methanol is OC(c1cncc(F)c1)c1ncc(Cl)s1.
What is the InChIKey of (5-chloro-1,3-thiazol-2-yl)-(5-fluoro-3-pyridinyl)methanol?
The InChIKey is RFHAZHGRCVTTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2OS/c10-7-4-13-9(15-7)8(14)5-1-6(11)3-12-2-5/h1-4,8,14H.
What are the key properties of (5-chloro-1,3-thiazol-2-yl)-(5-fluoro-3-pyridinyl)methanol?
(5-chloro-1,3-thiazol-2-yl)-(5-fluoro-3-pyridinyl)methanol has a molecular weight of 244.68 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1,3-thiazol-2-yl)-(5-fluoro-3-pyridinyl)methanol is sourced from PubChem (CID 107124895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).