1-(3-chloro-4-pyridinyl)propan-1-ol

C8H10ClNO — CID 105088541

IUPAC1-(3-chloro-4-pyridinyl)propan-1-ol
SMILESCCC(O)c1ccncc1Cl
InChIInChI=1S/C8H10ClNO/c1-2-8(11)6-3-4-10-5-7(6)9/h3-5,8,11H,2H2,1H3
InChIKeyASSTWTNUUYOYLR-UHFFFAOYSA-N
MW171.63 g/mol
LogP2.18
Rot. Bonds2

About 1-(3-chloro-4-pyridinyl)propan-1-ol

1-(3-chloro-4-pyridinyl)propan-1-ol (PubChem CID 105088541) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)propan-1-ol
PubChem CID105088541
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name1-(3-chloro-4-pyridinyl)propan-1-ol
SMILESCCC(O)c1ccncc1Cl
InChIInChI=1S/C8H10ClNO/c1-2-8(11)6-3-4-10-5-7(6)9/h3-5,8,11H,2H2,1H3
InChIKeyASSTWTNUUYOYLR-UHFFFAOYSA-N
XLogP2.18
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-pyridinyl)octan-1-ol
CID 105085038
1-(3-chloro-4-pyridinyl)ethanol
CID 67428643
(1S)-1-(3-chloro-4-pyridinyl)ethanol
CID 59186881
1-(3-chloro-4-pyridinyl)-2-(4-propan-2-ylphenyl)ethanol
CID 105089032
1-(3-chloro-4-pyridinyl)-2-(3,4-dichlorophenyl)ethanol
CID 105088030
1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-ol
CID 114983838
1-(3-chloro-4-pyridinyl)-4-methylsulfonylbutan-1-ol
CID 105082589
1-(3-chloro-4-pyridinyl)-2-(1-methylimidazol-2-yl)ethanol
CID 105113541
1-(3-chloro-4-pyridinyl)-2-methylprop-2-en-1-ol
CID 105110481
3-amino-1-(3-chloro-4-pyridinyl)-2-methylpropan-1-ol
CID 165445125
(3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanol
CID 105094409
1-(3-chloro-4-pyridinyl)-3-methylbut-2-en-1-ol
CID 105110237

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)propan-1-ol?
The IUPAC name of 1-(3-chloro-4-pyridinyl)propan-1-ol (CID 105088541) is 1-(3-chloro-4-pyridinyl)propan-1-ol.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)propan-1-ol?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)propan-1-ol is CCC(O)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)propan-1-ol?
The InChIKey is ASSTWTNUUYOYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c1-2-8(11)6-3-4-10-5-7(6)9/h3-5,8,11H,2H2,1H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)propan-1-ol?
1-(3-chloro-4-pyridinyl)propan-1-ol has a molecular weight of 171.63 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)propan-1-ol is sourced from PubChem (CID 105088541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).