1-(3-chloro-2-pyridinyl)pentan-2-ol

C10H14ClNO — CID 63201642

IUPAC1-(3-chloro-2-pyridinyl)pentan-2-ol
SMILESCCCC(O)Cc1ncccc1Cl
InChIInChI=1S/C10H14ClNO/c1-2-4-8(13)7-10-9(11)5-3-6-12-10/h3,5-6,8,13H,2,4,7H2,1H3
InChIKeyLRFIAWIEXVBQCS-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.44
Rot. Bonds4

About 1-(3-chloro-2-pyridinyl)pentan-2-ol

1-(3-chloro-2-pyridinyl)pentan-2-ol (PubChem CID 63201642) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)pentan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)pentan-2-ol
PubChem CID63201642
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name1-(3-chloro-2-pyridinyl)pentan-2-ol
SMILESCCCC(O)Cc1ncccc1Cl
InChIInChI=1S/C10H14ClNO/c1-2-4-8(13)7-10-9(11)5-3-6-12-10/h3,5-6,8,13H,2,4,7H2,1H3
InChIKeyLRFIAWIEXVBQCS-UHFFFAOYSA-N
XLogP2.44
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-pyridinyl)propan-2-ol;hydrochloride
CID 174430091
1-pyridin-3-ylpentan-2-ol
CID 62553061
1-(3-chloro-2-pyridinyl)-2-methylpropan-2-ol
CID 90923258
1-[(3-chloro-2-pyridinyl)amino]pentan-3-ol
CID 115702068
3-bromo-2-(2-chloropentyl)pyridine
CID 63203121
1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 82740956
lithium 2-(3-chloro-2-pyridinyl)acetate
CID 133054150
(3-chloro-2-pyridinyl)methanamine;hydrochloride
CID 86346205
1-(3-chloro-2-pyridinyl)butylhydrazine
CID 103445669
1-(2,4-dichlorophenyl)pentan-2-ol
CID 60798287
3-(2-chlorophenyl)-2-propylpyridine
CID 71204387
(2S)-1-[3-(2-chlorophenyl)phenyl]pentan-2-ol
CID 71163569

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)pentan-2-ol?
The IUPAC name of 1-(3-chloro-2-pyridinyl)pentan-2-ol (CID 63201642) is 1-(3-chloro-2-pyridinyl)pentan-2-ol.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)pentan-2-ol?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)pentan-2-ol is CCCC(O)Cc1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)pentan-2-ol?
The InChIKey is LRFIAWIEXVBQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-2-4-8(13)7-10-9(11)5-3-6-12-10/h3,5-6,8,13H,2,4,7H2,1H3.
What are the key properties of 1-(3-chloro-2-pyridinyl)pentan-2-ol?
1-(3-chloro-2-pyridinyl)pentan-2-ol has a molecular weight of 199.68 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)pentan-2-ol is sourced from PubChem (CID 63201642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).