(2-chloro-5-fluorophenyl)-(5-chloroquinolin-8-yl)methanol

C16H10Cl2FNO — CID 105394021

IUPAC(2-chloro-5-fluorophenyl)-(5-chloroquinolin-8-yl)methanol
SMILESOC(c1cc(F)ccc1Cl)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H10Cl2FNO/c17-13-6-4-11(15-10(13)2-1-7-20-15)16(21)12-8-9(19)3-5-14(12)18/h1-8,16,21H
InChIKeyUXIKZTBQCXKUFS-UHFFFAOYSA-N
MW322.17 g/mol
LogP4.76
Rot. Bonds2

About (2-chloro-5-fluorophenyl)-(5-chloroquinolin-8-yl)methanol

(2-chloro-5-fluorophenyl)-(5-chloroquinolin-8-yl)methanol (PubChem CID 105394021) has the molecular formula C16H10Cl2FNO and a molecular weight of 322.17 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-(5-chloroquinolin-8-yl)methanol.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-(5-chloroquinolin-8-yl)methanol
PubChem CID105394021
Molecular FormulaC16H10Cl2FNO
Molecular Weight322.17 g/mol
Exact Mass321.01
IUPAC Name(2-chloro-5-fluorophenyl)-(5-chloroquinolin-8-yl)methanol
SMILESOC(c1cc(F)ccc1Cl)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H10Cl2FNO/c17-13-6-4-11(15-10(13)2-1-7-20-15)16(21)12-8-9(19)3-5-14(12)18/h1-8,16,21H
InChIKeyUXIKZTBQCXKUFS-UHFFFAOYSA-N
XLogP4.76
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.17
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloroquinolin-8-yl)-2,2-difluoroethanol
CID 112618208
(5-chloroquinolin-8-yl)-(3-methyltriazol-4-yl)methanol
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(5-chloroquinolin-8-yl)-(cyclohexen-1-yl)methanol
CID 106651543
(2-amino-4-methyl-3-pyridinyl)-(5-chloroquinolin-8-yl)methanol
CID 115960046
1-(5-chloroquinolin-8-yl)-2-phenylethanol
CID 112618238
2-(3-chlorophenyl)-1-(5-chloroquinolin-8-yl)ethanol
CID 115960037
(2,5-dichlorophenyl)-pyrimidin-2-ylmethanol
CID 62789956
(2-chloro-5-fluorophenyl)-(4-chloro-2-fluorophenyl)methanol
CID 105394068
(5-bromo-3-methyltriazol-4-yl)-(5-chloroquinolin-8-yl)methanol
CID 106461386
(4-chloro-1-ethylpyrazol-5-yl)-(5-chloroquinolin-8-yl)methanol
CID 114638079
(2-chloro-5-fluorophenyl)-quinolin-5-ylmethanamine
CID 105396959
1-N-(5-chloroquinolin-8-yl)-4-fluorobenzene-1,2-diamine
CID 116782991

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-(5-chloroquinolin-8-yl)methanol?
The IUPAC name of (2-chloro-5-fluorophenyl)-(5-chloroquinolin-8-yl)methanol (CID 105394021) is (2-chloro-5-fluorophenyl)-(5-chloroquinolin-8-yl)methanol.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-(5-chloroquinolin-8-yl)methanol?
The canonical SMILES for (2-chloro-5-fluorophenyl)-(5-chloroquinolin-8-yl)methanol is OC(c1cc(F)ccc1Cl)c1ccc(Cl)c2cccnc12.
What is the InChIKey of (2-chloro-5-fluorophenyl)-(5-chloroquinolin-8-yl)methanol?
The InChIKey is UXIKZTBQCXKUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2FNO/c17-13-6-4-11(15-10(13)2-1-7-20-15)16(21)12-8-9(19)3-5-14(12)18/h1-8,16,21H.
What are the key properties of (2-chloro-5-fluorophenyl)-(5-chloroquinolin-8-yl)methanol?
(2-chloro-5-fluorophenyl)-(5-chloroquinolin-8-yl)methanol has a molecular weight of 322.17 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-(5-chloroquinolin-8-yl)methanol is sourced from PubChem (CID 105394021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).