2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorophenol

C14H14FNO — CID 83129957

IUPAC2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorophenol
SMILESCCc1ccc(Cc2ccc(F)cc2O)nc1
InChIInChI=1S/C14H14FNO/c1-2-10-3-6-13(16-9-10)7-11-4-5-12(15)8-14(11)17/h3-6,8-9,17H,2,7H2,1H3
InChIKeyOYPOOXNHUWPWKN-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.08
Rot. Bonds3

About 2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorophenol

2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorophenol (PubChem CID 83129957) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorophenol.

Molecular Properties

Compound Name2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorophenol
PubChem CID83129957
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorophenol
SMILESCCc1ccc(Cc2ccc(F)cc2O)nc1
InChIInChI=1S/C14H14FNO/c1-2-10-3-6-13(16-9-10)7-11-4-5-12(15)8-14(11)17/h3-6,8-9,17H,2,7H2,1H3
InChIKeyOYPOOXNHUWPWKN-UHFFFAOYSA-N
XLogP3.08
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorobenzoic acid
CID 79740577
1-(2-chloro-4-fluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol
CID 79745107
5-fluoro-2-(pyridin-2-ylmethyl)phenol
CID 83129937
N-[[4-[(5-ethyl-2-pyridinyl)methyl]-3-methylphenyl]methyl]ethanamine
CID 79740597
2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81273317
5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]aniline
CID 81275485
5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]benzaldehyde
CID 79739852
N-[[5-[(5-ethyl-2-pyridinyl)methyl]-2-fluorophenyl]methyl]cyclopropanamine
CID 79723425
2-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-5-fluorophenol
CID 50973078
3-chloro-4-[(5-ethyl-2-pyridinyl)methyl]benzaldehyde
CID 114076462
1-(5-chloro-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 114853153
5-chloro-3-[(5-ethyl-2-pyridinyl)methyl]pyridin-2-amine
CID 79738374

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorophenol?
The IUPAC name of 2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorophenol (CID 83129957) is 2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorophenol.
What is the SMILES notation for 2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorophenol?
The canonical SMILES for 2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorophenol is CCc1ccc(Cc2ccc(F)cc2O)nc1.
What is the InChIKey of 2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorophenol?
The InChIKey is OYPOOXNHUWPWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-2-10-3-6-13(16-9-10)7-11-4-5-12(15)8-14(11)17/h3-6,8-9,17H,2,7H2,1H3.
What are the key properties of 2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorophenol?
2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorophenol has a molecular weight of 231.27 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorophenol is sourced from PubChem (CID 83129957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).