[5-chloro-2-(3,3-dimethylbutoxy)-4-pyridinyl]methanol

C12H18ClNO2 — CID 114920735

IUPAC[5-chloro-2-(3,3-dimethylbutoxy)-4-pyridinyl]methanol
SMILESCC(C)(C)CCOc1cc(CO)c(Cl)cn1
InChIInChI=1S/C12H18ClNO2/c1-12(2,3)4-5-16-11-6-9(8-15)10(13)7-14-11/h6-7,15H,4-5,8H2,1-3H3
InChIKeyGYLBFRJYUZCBPR-UHFFFAOYSA-N
MW243.73 g/mol
LogP3.04
Rot. Bonds4

About [5-chloro-2-(3,3-dimethylbutoxy)-4-pyridinyl]methanol

[5-chloro-2-(3,3-dimethylbutoxy)-4-pyridinyl]methanol (PubChem CID 114920735) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is [5-chloro-2-(3,3-dimethylbutoxy)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(3,3-dimethylbutoxy)-4-pyridinyl]methanol
PubChem CID114920735
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name[5-chloro-2-(3,3-dimethylbutoxy)-4-pyridinyl]methanol
SMILESCC(C)(C)CCOc1cc(CO)c(Cl)cn1
InChIInChI=1S/C12H18ClNO2/c1-12(2,3)4-5-16-11-6-9(8-15)10(13)7-14-11/h6-7,15H,4-5,8H2,1-3H3
InChIKeyGYLBFRJYUZCBPR-UHFFFAOYSA-N
XLogP3.04
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-methoxy-4-pyridinyl)methanol;pyrrolidin-1-ide;tungsten
CID 168918393
N-[(5-chloro-2-propoxy-4-pyridinyl)methyl]-2-methylpropan-2-amine
CID 114927869
(5-chloro-2-pentan-2-yloxy-4-pyridinyl)methanol
CID 102982999
2-butoxy-5-chloro-4-(chloromethyl)pyridine
CID 114921209
[5-chloro-2-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-pyridinyl]methanol
CID 114920744
[5-chloro-2-[4-(2-methoxyethyl)phenoxy]-4-pyridinyl]methanol
CID 114920629
[5-chloro-2-(2,6-dimethoxyphenoxy)-4-pyridinyl]methanol
CID 114920569
N-[[5-chloro-2-(3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114927691
[5-chloro-2-(4-propylphenoxy)-4-pyridinyl]methanol
CID 114920713
[5-chloro-2-(3,3-dimethylbutoxy)-3-methoxyphenyl]methanol
CID 113438836
5-chloro-4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine
CID 114921190
1-[5-chloro-2-(2-cyclopropylethoxy)-4-pyridinyl]-N-methylmethanamine
CID 106205334

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(3,3-dimethylbutoxy)-4-pyridinyl]methanol?
The IUPAC name of [5-chloro-2-(3,3-dimethylbutoxy)-4-pyridinyl]methanol (CID 114920735) is [5-chloro-2-(3,3-dimethylbutoxy)-4-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-2-(3,3-dimethylbutoxy)-4-pyridinyl]methanol?
The canonical SMILES for [5-chloro-2-(3,3-dimethylbutoxy)-4-pyridinyl]methanol is CC(C)(C)CCOc1cc(CO)c(Cl)cn1.
What is the InChIKey of [5-chloro-2-(3,3-dimethylbutoxy)-4-pyridinyl]methanol?
The InChIKey is GYLBFRJYUZCBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-12(2,3)4-5-16-11-6-9(8-15)10(13)7-14-11/h6-7,15H,4-5,8H2,1-3H3.
What are the key properties of [5-chloro-2-(3,3-dimethylbutoxy)-4-pyridinyl]methanol?
[5-chloro-2-(3,3-dimethylbutoxy)-4-pyridinyl]methanol has a molecular weight of 243.73 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(3,3-dimethylbutoxy)-4-pyridinyl]methanol is sourced from PubChem (CID 114920735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).