(2-chloro-3-fluorophenyl)-quinolin-6-ylmethanol

C16H11ClFNO — CID 115826770

IUPAC(2-chloro-3-fluorophenyl)-quinolin-6-ylmethanol
SMILESOC(c1ccc2ncccc2c1)c1cccc(F)c1Cl
InChIInChI=1S/C16H11ClFNO/c17-15-12(4-1-5-13(15)18)16(20)11-6-7-14-10(9-11)3-2-8-19-14/h1-9,16,20H
InChIKeyLDAPUKBYGBWZBP-UHFFFAOYSA-N
MW287.72 g/mol
LogP4.11
Rot. Bonds2

About (2-chloro-3-fluorophenyl)-quinolin-6-ylmethanol

(2-chloro-3-fluorophenyl)-quinolin-6-ylmethanol (PubChem CID 115826770) has the molecular formula C16H11ClFNO and a molecular weight of 287.72 g/mol. Its IUPAC name is (2-chloro-3-fluorophenyl)-quinolin-6-ylmethanol.

Molecular Properties

Compound Name(2-chloro-3-fluorophenyl)-quinolin-6-ylmethanol
PubChem CID115826770
Molecular FormulaC16H11ClFNO
Molecular Weight287.72 g/mol
Exact Mass287.05
IUPAC Name(2-chloro-3-fluorophenyl)-quinolin-6-ylmethanol
SMILESOC(c1ccc2ncccc2c1)c1cccc(F)c1Cl
InChIInChI=1S/C16H11ClFNO/c17-15-12(4-1-5-13(15)18)16(20)11-6-7-14-10(9-11)3-2-8-19-14/h1-9,16,20H
InChIKeyLDAPUKBYGBWZBP-UHFFFAOYSA-N
XLogP4.11
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4-fluorophenyl)-quinolin-6-ylmethanol
CID 81220584
(3-bromo-4-fluorophenyl)-quinolin-6-ylmethanol
CID 81216485
(2-bromo-3-fluorophenyl)-quinolin-7-ylmethanol
CID 115827043
(2,3-difluoro-4-methylphenyl)-quinolin-6-ylmethanol
CID 107512228
(3-bromo-2-fluorophenyl)-quinolin-7-ylmethanol
CID 107954092
(5-fluoro-2-methylphenyl)-quinolin-6-ylmethanol
CID 63095091
(2-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107130732
(3-aminophenyl)-quinolin-6-ylmethanol
CID 106695803
pyridin-4-yl(quinolin-6-yl)methanol
CID 81215658
(2-amino-5-bromophenyl)-quinolin-6-ylmethanol
CID 82704078
(5-fluoro-2-pyridinyl)-quinolin-6-ylmethanol
CID 81221058
2-(5-chloro-2-fluorophenyl)-1-quinolin-6-ylethanol
CID 103047629

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluorophenyl)-quinolin-6-ylmethanol?
The IUPAC name of (2-chloro-3-fluorophenyl)-quinolin-6-ylmethanol (CID 115826770) is (2-chloro-3-fluorophenyl)-quinolin-6-ylmethanol.
What is the SMILES notation for (2-chloro-3-fluorophenyl)-quinolin-6-ylmethanol?
The canonical SMILES for (2-chloro-3-fluorophenyl)-quinolin-6-ylmethanol is OC(c1ccc2ncccc2c1)c1cccc(F)c1Cl.
What is the InChIKey of (2-chloro-3-fluorophenyl)-quinolin-6-ylmethanol?
The InChIKey is LDAPUKBYGBWZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO/c17-15-12(4-1-5-13(15)18)16(20)11-6-7-14-10(9-11)3-2-8-19-14/h1-9,16,20H.
What are the key properties of (2-chloro-3-fluorophenyl)-quinolin-6-ylmethanol?
(2-chloro-3-fluorophenyl)-quinolin-6-ylmethanol has a molecular weight of 287.72 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-fluorophenyl)-quinolin-6-ylmethanol is sourced from PubChem (CID 115826770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).