(2-chloro-3-fluorophenyl)-(5-fluoro-3-pyridinyl)methanol

C12H8ClF2NO — CID 114981130

IUPAC(2-chloro-3-fluorophenyl)-(5-fluoro-3-pyridinyl)methanol
SMILESOC(c1cncc(F)c1)c1cccc(F)c1Cl
InChIInChI=1S/C12H8ClF2NO/c13-11-9(2-1-3-10(11)15)12(17)7-4-8(14)6-16-5-7/h1-6,12,17H
InChIKeyNQOAEFSYTOQOSF-UHFFFAOYSA-N
MW255.65 g/mol
LogP3.09
Rot. Bonds2

About (2-chloro-3-fluorophenyl)-(5-fluoro-3-pyridinyl)methanol

(2-chloro-3-fluorophenyl)-(5-fluoro-3-pyridinyl)methanol (PubChem CID 114981130) has the molecular formula C12H8ClF2NO and a molecular weight of 255.65 g/mol. Its IUPAC name is (2-chloro-3-fluorophenyl)-(5-fluoro-3-pyridinyl)methanol.

Molecular Properties

Compound Name(2-chloro-3-fluorophenyl)-(5-fluoro-3-pyridinyl)methanol
PubChem CID114981130
Molecular FormulaC12H8ClF2NO
Molecular Weight255.65 g/mol
Exact Mass255.03
IUPAC Name(2-chloro-3-fluorophenyl)-(5-fluoro-3-pyridinyl)methanol
SMILESOC(c1cncc(F)c1)c1cccc(F)c1Cl
InChIInChI=1S/C12H8ClF2NO/c13-11-9(2-1-3-10(11)15)12(17)7-4-8(14)6-16-5-7/h1-6,12,17H
InChIKeyNQOAEFSYTOQOSF-UHFFFAOYSA-N
XLogP3.09
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.65
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-3-fluorophenyl)-(5-propoxy-3-pyridinyl)methanol
CID 115829228
(2-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107130732
(2,3-difluoro-4-methylphenyl)-(5-fluoro-3-pyridinyl)methanol
CID 107516186
(2-chloro-3-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879528
(2-chloro-3-fluorophenyl)-(3-methoxyphenyl)methanol
CID 114976824
(2-chloro-3-fluorophenyl)-quinolin-6-ylmethanol
CID 115826770
[2-bromo-5-(trifluoromethyl)phenyl]-(5-fluoro-3-pyridinyl)methanol
CID 114981057
(2-chloro-3-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine
CID 105023063
(2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 115807096
(2-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanol
CID 115781566
(5-fluoro-3-pyridinyl)-(furan-2-yl)methanol
CID 62716120
(2-chloro-3-fluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 81461442

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluorophenyl)-(5-fluoro-3-pyridinyl)methanol?
The IUPAC name of (2-chloro-3-fluorophenyl)-(5-fluoro-3-pyridinyl)methanol (CID 114981130) is (2-chloro-3-fluorophenyl)-(5-fluoro-3-pyridinyl)methanol.
What is the SMILES notation for (2-chloro-3-fluorophenyl)-(5-fluoro-3-pyridinyl)methanol?
The canonical SMILES for (2-chloro-3-fluorophenyl)-(5-fluoro-3-pyridinyl)methanol is OC(c1cncc(F)c1)c1cccc(F)c1Cl.
What is the InChIKey of (2-chloro-3-fluorophenyl)-(5-fluoro-3-pyridinyl)methanol?
The InChIKey is NQOAEFSYTOQOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2NO/c13-11-9(2-1-3-10(11)15)12(17)7-4-8(14)6-16-5-7/h1-6,12,17H.
What are the key properties of (2-chloro-3-fluorophenyl)-(5-fluoro-3-pyridinyl)methanol?
(2-chloro-3-fluorophenyl)-(5-fluoro-3-pyridinyl)methanol has a molecular weight of 255.65 g/mol, XLogP of 3.09, 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)-(5-fluoro-3-pyridinyl)methanol is sourced from PubChem (CID 114981130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).