1-(3-chloro-4-pyridinyl)-3-ethoxypentan-2-ol

C12H18ClNO2 — CID 116711097

IUPAC1-(3-chloro-4-pyridinyl)-3-ethoxypentan-2-ol
SMILESCCOC(CC)C(O)Cc1ccncc1Cl
InChIInChI=1S/C12H18ClNO2/c1-3-12(16-4-2)11(15)7-9-5-6-14-8-10(9)13/h5-6,8,11-12,15H,3-4,7H2,1-2H3
InChIKeyKFGSVZBEOPFUQA-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.45
Rot. Bonds6

About 1-(3-chloro-4-pyridinyl)-3-ethoxypentan-2-ol

1-(3-chloro-4-pyridinyl)-3-ethoxypentan-2-ol (PubChem CID 116711097) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-3-ethoxypentan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-3-ethoxypentan-2-ol
PubChem CID116711097
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name1-(3-chloro-4-pyridinyl)-3-ethoxypentan-2-ol
SMILESCCOC(CC)C(O)Cc1ccncc1Cl
InChIInChI=1S/C12H18ClNO2/c1-3-12(16-4-2)11(15)7-9-5-6-14-8-10(9)13/h5-6,8,11-12,15H,3-4,7H2,1-2H3
InChIKeyKFGSVZBEOPFUQA-UHFFFAOYSA-N
XLogP2.45
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-methylphenyl)-3-ethoxypentan-2-ol
CID 106867571
1-(2,3-dichlorophenyl)-3-ethoxypentan-2-ol
CID 107308264
1-(3-chloro-4-pyridinyl)-3-methylbutane-2,3-diol
CID 103449011
1-(3-chloro-4-pyridinyl)-4-ethylsulfanylbutan-2-ol
CID 116504536
4-(2-bromo-3-methylbutyl)-3-chloropyridine
CID 79841432
3-chloro-4-[2-chloro-2-(4-ethoxyphenyl)ethyl]pyridine
CID 112655944
1-(3-chloro-4-pyridinyl)-4-(dimethylamino)butan-2-ol
CID 115345875
2-ethoxy-1-pyridin-3-ylbutan-1-ol
CID 116711052
3-(3-chloro-4-pyridinyl)-2-methyl-1-phenylpropan-1-ol
CID 113460152
1-(3-chloro-4-pyridinyl)propan-1-ol
CID 105088541
2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanol
CID 79069940
[1-(3-chloro-4-pyridinyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine
CID 105274087

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-3-ethoxypentan-2-ol?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-3-ethoxypentan-2-ol (CID 116711097) is 1-(3-chloro-4-pyridinyl)-3-ethoxypentan-2-ol.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-3-ethoxypentan-2-ol?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-3-ethoxypentan-2-ol is CCOC(CC)C(O)Cc1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-3-ethoxypentan-2-ol?
The InChIKey is KFGSVZBEOPFUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-3-12(16-4-2)11(15)7-9-5-6-14-8-10(9)13/h5-6,8,11-12,15H,3-4,7H2,1-2H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-3-ethoxypentan-2-ol?
1-(3-chloro-4-pyridinyl)-3-ethoxypentan-2-ol has a molecular weight of 243.73 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-3-ethoxypentan-2-ol is sourced from PubChem (CID 116711097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).