(5-chloro-2-pentan-2-yloxy-4-pyridinyl)methanol

C11H16ClNO2 — CID 102982999

IUPAC(5-chloro-2-pentan-2-yloxy-4-pyridinyl)methanol
SMILESCCCC(C)Oc1cc(CO)c(Cl)cn1
InChIInChI=1S/C11H16ClNO2/c1-3-4-8(2)15-11-5-9(7-14)10(12)6-13-11/h5-6,8,14H,3-4,7H2,1-2H3
InChIKeyITHJBZYGJXGACN-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.79
Rot. Bonds5

About (5-chloro-2-pentan-2-yloxy-4-pyridinyl)methanol

(5-chloro-2-pentan-2-yloxy-4-pyridinyl)methanol (PubChem CID 102982999) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is (5-chloro-2-pentan-2-yloxy-4-pyridinyl)methanol.

Molecular Properties

Compound Name(5-chloro-2-pentan-2-yloxy-4-pyridinyl)methanol
PubChem CID102982999
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name(5-chloro-2-pentan-2-yloxy-4-pyridinyl)methanol
SMILESCCCC(C)Oc1cc(CO)c(Cl)cn1
InChIInChI=1S/C11H16ClNO2/c1-3-4-8(2)15-11-5-9(7-14)10(12)6-13-11/h5-6,8,14H,3-4,7H2,1-2H3
InChIKeyITHJBZYGJXGACN-UHFFFAOYSA-N
XLogP2.79
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-2-(4-propylphenoxy)-4-pyridinyl]methanol
CID 114920713
[5-chloro-2-(3,3-dimethylbutoxy)-4-pyridinyl]methanol
CID 114920735
N-[(5-chloro-2-propan-2-yloxy-4-pyridinyl)methyl]propan-1-amine
CID 114927711
[5-chloro-2-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-pyridinyl]methanol
CID 114920744
5-pentan-2-yloxypyrazin-2-amine
CID 102988499
N-[[5-chloro-2-(1-ethoxypropan-2-yloxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103490459
[5-chloro-2-[propan-2-yl(propyl)amino]-4-pyridinyl]methanol
CID 114920224
(5-chloro-2-methoxy-4-pyridinyl)methanol;pyrrolidin-1-ide;tungsten
CID 168918393
(3-chloro-4-pentan-2-yloxyphenyl)methanol
CID 107892219
[5-chloro-2-(2,6-dimethoxyphenoxy)-4-pyridinyl]methanol
CID 114920569
(5-chloro-6-octan-2-yloxy-3-pyridinyl)methanol
CID 61255716
(5-octan-2-yloxypyrazin-2-yl)methanol
CID 107373154

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-pentan-2-yloxy-4-pyridinyl)methanol?
The IUPAC name of (5-chloro-2-pentan-2-yloxy-4-pyridinyl)methanol (CID 102982999) is (5-chloro-2-pentan-2-yloxy-4-pyridinyl)methanol.
What is the SMILES notation for (5-chloro-2-pentan-2-yloxy-4-pyridinyl)methanol?
The canonical SMILES for (5-chloro-2-pentan-2-yloxy-4-pyridinyl)methanol is CCCC(C)Oc1cc(CO)c(Cl)cn1.
What is the InChIKey of (5-chloro-2-pentan-2-yloxy-4-pyridinyl)methanol?
The InChIKey is ITHJBZYGJXGACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-3-4-8(2)15-11-5-9(7-14)10(12)6-13-11/h5-6,8,14H,3-4,7H2,1-2H3.
What are the key properties of (5-chloro-2-pentan-2-yloxy-4-pyridinyl)methanol?
(5-chloro-2-pentan-2-yloxy-4-pyridinyl)methanol has a molecular weight of 229.71 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-pentan-2-yloxy-4-pyridinyl)methanol is sourced from PubChem (CID 102982999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).