[2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol

C16H17ClFNO2 — CID 116689756

IUPAC[2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
SMILESCC(C)(C)c1cc(CO)cc(Oc2cccc(Cl)c2F)n1
InChIInChI=1S/C16H17ClFNO2/c1-16(2,3)13-7-10(9-20)8-14(19-13)21-12-6-4-5-11(17)15(12)18/h4-8,20H,9H2,1-3H3
InChIKeyOGXLMRSWGHJJKJ-UHFFFAOYSA-N
MW309.77 g/mol
LogP4.46
Rot. Bonds3

About [2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol

[2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol (PubChem CID 116689756) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is [2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
PubChem CID116689756
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC Name[2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
SMILESCC(C)(C)c1cc(CO)cc(Oc2cccc(Cl)c2F)n1
InChIInChI=1S/C16H17ClFNO2/c1-16(2,3)13-7-10(9-20)8-14(19-13)21-12-6-4-5-11(17)15(12)18/h4-8,20H,9H2,1-3H3
InChIKeyOGXLMRSWGHJJKJ-UHFFFAOYSA-N
XLogP4.46
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-chloro-2-fluorophenoxy)-6-propyl-4-pyridinyl]methanol
CID 116689764
2-(3-chloro-2-fluorophenoxy)-4-(chloromethyl)-6-methylpyridine
CID 116689772
[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
CID 116689765
[4-(3-chloro-2-fluorophenoxy)-3,5-difluorophenyl]methanol
CID 116689370
1-[2-(3-chloro-2-fluorophenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine
CID 116690035
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116690064
[2-tert-butyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanol
CID 106597594
2-(5-bromo-2-methylphenoxy)-6-tert-butyl-4-(chloromethyl)pyridine
CID 107285394
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 116691214
N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116689541
6-(3-chloro-2-fluorophenoxy)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720106

Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol?
The IUPAC name of [2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol (CID 116689756) is [2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol.
What is the SMILES notation for [2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol?
The canonical SMILES for [2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol is CC(C)(C)c1cc(CO)cc(Oc2cccc(Cl)c2F)n1.
What is the InChIKey of [2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol?
The InChIKey is OGXLMRSWGHJJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2/c1-16(2,3)13-7-10(9-20)8-14(19-13)21-12-6-4-5-11(17)15(12)18/h4-8,20H,9H2,1-3H3.
What are the key properties of [2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol?
[2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol has a molecular weight of 309.77 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol is sourced from PubChem (CID 116689756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).