3-(3,5-dichloro-4-pyridinyl)prop-2-en-1-ol

C8H7Cl2NO — CID 169453079

IUPAC3-(3,5-dichloro-4-pyridinyl)prop-2-en-1-ol
SMILESOCC=Cc1c(Cl)cncc1Cl
InChIInChI=1S/C8H7Cl2NO/c9-7-4-11-5-8(10)6(7)2-1-3-12/h1-2,4-5,12H,3H2
InChIKeyPJJRUTZXKHKQGN-UHFFFAOYSA-N
MW204.06 g/mol
LogP2.39
Rot. Bonds2

About 3-(3,5-dichloro-4-pyridinyl)prop-2-en-1-ol

3-(3,5-dichloro-4-pyridinyl)prop-2-en-1-ol (PubChem CID 169453079) has the molecular formula C8H7Cl2NO and a molecular weight of 204.06 g/mol. Its IUPAC name is 3-(3,5-dichloro-4-pyridinyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(3,5-dichloro-4-pyridinyl)prop-2-en-1-ol
PubChem CID169453079
Molecular FormulaC8H7Cl2NO
Molecular Weight204.06 g/mol
Exact Mass202.99
IUPAC Name3-(3,5-dichloro-4-pyridinyl)prop-2-en-1-ol
SMILESOCC=Cc1c(Cl)cncc1Cl
InChIInChI=1S/C8H7Cl2NO/c9-7-4-11-5-8(10)6(7)2-1-3-12/h1-2,4-5,12H,3H2
InChIKeyPJJRUTZXKHKQGN-UHFFFAOYSA-N
XLogP2.39
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.06
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-4-pyridinyl)prop-2-en-1-ol?
The IUPAC name of 3-(3,5-dichloro-4-pyridinyl)prop-2-en-1-ol (CID 169453079) is 3-(3,5-dichloro-4-pyridinyl)prop-2-en-1-ol.
What is the SMILES notation for 3-(3,5-dichloro-4-pyridinyl)prop-2-en-1-ol?
The canonical SMILES for 3-(3,5-dichloro-4-pyridinyl)prop-2-en-1-ol is OCC=Cc1c(Cl)cncc1Cl.
What is the InChIKey of 3-(3,5-dichloro-4-pyridinyl)prop-2-en-1-ol?
The InChIKey is PJJRUTZXKHKQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO/c9-7-4-11-5-8(10)6(7)2-1-3-12/h1-2,4-5,12H,3H2.
What are the key properties of 3-(3,5-dichloro-4-pyridinyl)prop-2-en-1-ol?
3-(3,5-dichloro-4-pyridinyl)prop-2-en-1-ol has a molecular weight of 204.06 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-4-pyridinyl)prop-2-en-1-ol is sourced from PubChem (CID 169453079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).