3-(6-chloro-3-hydroxy-2-pyridinyl)prop-2-enal

C8H6ClNO2 — CID 169460005

IUPAC3-(6-chloro-3-hydroxy-2-pyridinyl)prop-2-enal
SMILESO=CC=Cc1nc(Cl)ccc1O
InChIInChI=1S/C8H6ClNO2/c9-8-4-3-7(12)6(10-8)2-1-5-11/h1-5,12H
InChIKeyRFKBDVTXTHAQNW-UHFFFAOYSA-N
MW183.59 g/mol
LogP1.65
Rot. Bonds2

About 3-(6-chloro-3-hydroxy-2-pyridinyl)prop-2-enal

3-(6-chloro-3-hydroxy-2-pyridinyl)prop-2-enal (PubChem CID 169460005) has the molecular formula C8H6ClNO2 and a molecular weight of 183.59 g/mol. Its IUPAC name is 3-(6-chloro-3-hydroxy-2-pyridinyl)prop-2-enal.

Molecular Properties

Compound Name3-(6-chloro-3-hydroxy-2-pyridinyl)prop-2-enal
PubChem CID169460005
Molecular FormulaC8H6ClNO2
Molecular Weight183.59 g/mol
Exact Mass183.01
IUPAC Name3-(6-chloro-3-hydroxy-2-pyridinyl)prop-2-enal
SMILESO=CC=Cc1nc(Cl)ccc1O
InChIInChI=1S/C8H6ClNO2/c9-8-4-3-7(12)6(10-8)2-1-5-11/h1-5,12H
InChIKeyRFKBDVTXTHAQNW-UHFFFAOYSA-N
XLogP1.65
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.59
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(3-amino-6-chloro-2-pyridinyl)prop-2-enal
CID 169458774
S-[4-(6-chloro-3-hydroxy-2-pyridinyl)but-3-enyl] ethanethioate
CID 170481198
2-(3-azidoprop-1-enyl)-6-chloropyridin-3-ol
CID 169462758
3,6-dichloropyridine-2-carbaldehyde
CID 10821148
6-chloro-2-methylpyridin-3-ol;ethane
CID 144548355
3-(6-chloropyridazin-3-yl)prop-2-enal
CID 169459961
benzyl N-[3-(6-chloro-3-hydroxy-2-pyridinyl)prop-2-enyl]carbamate
CID 169472695
3-bromo-6-chloropyridine-2-carbaldehyde
CID 71721004
3-(2,6-dichloro-4-pyridinyl)prop-2-enal
CID 169460002
3-(3-chloro-2-pyridinyl)prop-2-enal
CID 169458667
4-(3-amino-6-chloro-2-pyridinyl)but-3-enal
CID 170481493
3-(5-bromo-2-hydroxyphenyl)prop-2-enal
CID 73179999

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-3-hydroxy-2-pyridinyl)prop-2-enal?
The IUPAC name of 3-(6-chloro-3-hydroxy-2-pyridinyl)prop-2-enal (CID 169460005) is 3-(6-chloro-3-hydroxy-2-pyridinyl)prop-2-enal.
What is the SMILES notation for 3-(6-chloro-3-hydroxy-2-pyridinyl)prop-2-enal?
The canonical SMILES for 3-(6-chloro-3-hydroxy-2-pyridinyl)prop-2-enal is O=CC=Cc1nc(Cl)ccc1O.
What is the InChIKey of 3-(6-chloro-3-hydroxy-2-pyridinyl)prop-2-enal?
The InChIKey is RFKBDVTXTHAQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO2/c9-8-4-3-7(12)6(10-8)2-1-5-11/h1-5,12H.
What are the key properties of 3-(6-chloro-3-hydroxy-2-pyridinyl)prop-2-enal?
3-(6-chloro-3-hydroxy-2-pyridinyl)prop-2-enal has a molecular weight of 183.59 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-3-hydroxy-2-pyridinyl)prop-2-enal is sourced from PubChem (CID 169460005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).