4-[6-chloro-2-(4-fluoro-1H-indol-2-yl)-3-pyridinyl]but-3-en-1-ol

C17H14ClFN2O — CID 123232281

IUPAC4-[6-chloro-2-(4-fluoro-1H-indol-2-yl)-3-pyridinyl]but-3-en-1-ol
SMILESOCCC=Cc1ccc(Cl)nc1-c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C17H14ClFN2O/c18-16-8-7-11(4-1-2-9-22)17(21-16)15-10-12-13(19)5-3-6-14(12)20-15/h1,3-8,10,20,22H,2,9H2
InChIKeyCDNZFBRDTRFVRU-UHFFFAOYSA-N
MW316.76 g/mol
LogP4.42
Rot. Bonds4

About 4-[6-chloro-2-(4-fluoro-1H-indol-2-yl)-3-pyridinyl]but-3-en-1-ol

4-[6-chloro-2-(4-fluoro-1H-indol-2-yl)-3-pyridinyl]but-3-en-1-ol (PubChem CID 123232281) has the molecular formula C17H14ClFN2O and a molecular weight of 316.76 g/mol. Its IUPAC name is 4-[6-chloro-2-(4-fluoro-1H-indol-2-yl)-3-pyridinyl]but-3-en-1-ol.

Molecular Properties

Compound Name4-[6-chloro-2-(4-fluoro-1H-indol-2-yl)-3-pyridinyl]but-3-en-1-ol
PubChem CID123232281
Molecular FormulaC17H14ClFN2O
Molecular Weight316.76 g/mol
Exact Mass316.08
IUPAC Name4-[6-chloro-2-(4-fluoro-1H-indol-2-yl)-3-pyridinyl]but-3-en-1-ol
SMILESOCCC=Cc1ccc(Cl)nc1-c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C17H14ClFN2O/c18-16-8-7-11(4-1-2-9-22)17(21-16)15-10-12-13(19)5-3-6-14(12)20-15/h1,3-8,10,20,22H,2,9H2
InChIKeyCDNZFBRDTRFVRU-UHFFFAOYSA-N
XLogP4.42
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.76
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-(4-fluoro-1H-indol-2-yl)pyridin-3-ol;(E)-1,1-dibromobut-2-ene
CID 144548383
2-(6-chloro-3-hydroxy-2-pyridinyl)-1H-indole-4-carbonitrile
CID 170993041
4-(3-fluoro-2-methoxyphenyl)but-3-en-1-ol
CID 170476426
2-fluoro-6-(4-hydroxybut-1-enyl)phenol
CID 170476150
2-fluoro-6-(4-hydroxybut-1-enyl)benzonitrile
CID 170476567
2-(6-chloro-3-phenylmethoxy-2-pyridinyl)-4-fluoro-1H-pyrrolo[2,3-c]pyridine
CID 86728232
2-fluoro-6-(4-hydroxybut-1-enyl)benzoic acid
CID 170476801
5-(4-fluoro-1H-indol-2-yl)-1H-pyrazol-3-amine
CID 136985687
2-(2-chloro-5-ethenylpyrimidin-4-yl)-4-fluoro-1H-indole;[2-chloro-4-(4-fluoro-1H-indol-2-yl)pyrimidin-5-yl] trifluoromethanesulfonate;tributyl(ethenyl)stannane
CID 158913265
2-chloro-3-(4-hydroxybut-1-enyl)phenol
CID 170476157
4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole
CID 130177595
4-fluoro-2-(6-methylpyrazin-2-yl)-1H-indole
CID 144766338

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-2-(4-fluoro-1H-indol-2-yl)-3-pyridinyl]but-3-en-1-ol?
The IUPAC name of 4-[6-chloro-2-(4-fluoro-1H-indol-2-yl)-3-pyridinyl]but-3-en-1-ol (CID 123232281) is 4-[6-chloro-2-(4-fluoro-1H-indol-2-yl)-3-pyridinyl]but-3-en-1-ol.
What is the SMILES notation for 4-[6-chloro-2-(4-fluoro-1H-indol-2-yl)-3-pyridinyl]but-3-en-1-ol?
The canonical SMILES for 4-[6-chloro-2-(4-fluoro-1H-indol-2-yl)-3-pyridinyl]but-3-en-1-ol is OCCC=Cc1ccc(Cl)nc1-c1cc2c(F)cccc2[nH]1.
What is the InChIKey of 4-[6-chloro-2-(4-fluoro-1H-indol-2-yl)-3-pyridinyl]but-3-en-1-ol?
The InChIKey is CDNZFBRDTRFVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O/c18-16-8-7-11(4-1-2-9-22)17(21-16)15-10-12-13(19)5-3-6-14(12)20-15/h1,3-8,10,20,22H,2,9H2.
What are the key properties of 4-[6-chloro-2-(4-fluoro-1H-indol-2-yl)-3-pyridinyl]but-3-en-1-ol?
4-[6-chloro-2-(4-fluoro-1H-indol-2-yl)-3-pyridinyl]but-3-en-1-ol has a molecular weight of 316.76 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-2-(4-fluoro-1H-indol-2-yl)-3-pyridinyl]but-3-en-1-ol is sourced from PubChem (CID 123232281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).