[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanol

C14H11ClF3NO2 — CID 4522761

IUPAC[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C14H11ClF3NO2/c1-21-10-4-2-8(3-5-10)13(20)12-11(15)6-9(7-19-12)14(16,17)18/h2-7,13,20H,1H3
InChIKeyROAKEQGHGCPMBJ-UHFFFAOYSA-N
MW317.69 g/mol
LogP3.84
Rot. Bonds3

About [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanol

[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanol (PubChem CID 4522761) has the molecular formula C14H11ClF3NO2 and a molecular weight of 317.69 g/mol. Its IUPAC name is [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanol
PubChem CID4522761
Molecular FormulaC14H11ClF3NO2
Molecular Weight317.69 g/mol
Exact Mass317.04
IUPAC Name[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C14H11ClF3NO2/c1-21-10-4-2-8(3-5-10)13(20)12-11(15)6-9(7-19-12)14(16,17)18/h2-7,13,20H,1H3
InChIKeyROAKEQGHGCPMBJ-UHFFFAOYSA-N
XLogP3.84
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.69
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-[(4-chlorophenyl)-methoxymethyl]-5-(trifluoromethyl)pyridine
CID 18327281
[3,5-bis(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanol
CID 3625167
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol
CID 63201271
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-cyanomethyl]phenyl] acetate
CID 3818928
3-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyridine
CID 138603693
3-chloro-2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine
CID 56627403
3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen
CID 161307255
[4-[(R)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-cyanomethyl]phenyl] methanesulfonate
CID 40542936
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroxypropanenitrile
CID 171870889
2-(4-chlorophenyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 170875466
(3,5-dichloro-2-pyridinyl)-(4-propoxyphenyl)methanol
CID 79781093
[(4-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 105286222

Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanol?
The IUPAC name of [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanol (CID 4522761) is [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanol.
What is the SMILES notation for [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanol?
The canonical SMILES for [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanol is COc1ccc(C(O)c2ncc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanol?
The InChIKey is ROAKEQGHGCPMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO2/c1-21-10-4-2-8(3-5-10)13(20)12-11(15)6-9(7-19-12)14(16,17)18/h2-7,13,20H,1H3.
What are the key properties of [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanol?
[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanol has a molecular weight of 317.69 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanol is sourced from PubChem (CID 4522761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).