6-chloro-2-(4-fluoro-1H-indol-2-yl)-5-methylpyridin-3-ol

C14H10ClFN2O — CID 123153518

IUPAC6-chloro-2-(4-fluoro-1H-indol-2-yl)-5-methylpyridin-3-ol
SMILESCc1cc(O)c(-c2cc3c(F)cccc3[nH]2)nc1Cl
InChIInChI=1S/C14H10ClFN2O/c1-7-5-12(19)13(18-14(7)15)11-6-8-9(16)3-2-4-10(8)17-11/h2-6,17,19H,1H3
InChIKeyVASDXAVLSQXTNH-UHFFFAOYSA-N
MW276.70 g/mol
LogP4.04
Rot. Bonds1

About 6-chloro-2-(4-fluoro-1H-indol-2-yl)-5-methylpyridin-3-ol

6-chloro-2-(4-fluoro-1H-indol-2-yl)-5-methylpyridin-3-ol (PubChem CID 123153518) has the molecular formula C14H10ClFN2O and a molecular weight of 276.70 g/mol. Its IUPAC name is 6-chloro-2-(4-fluoro-1H-indol-2-yl)-5-methylpyridin-3-ol.

Molecular Properties

Compound Name6-chloro-2-(4-fluoro-1H-indol-2-yl)-5-methylpyridin-3-ol
PubChem CID123153518
Molecular FormulaC14H10ClFN2O
Molecular Weight276.70 g/mol
Exact Mass276.05
IUPAC Name6-chloro-2-(4-fluoro-1H-indol-2-yl)-5-methylpyridin-3-ol
SMILESCc1cc(O)c(-c2cc3c(F)cccc3[nH]2)nc1Cl
InChIInChI=1S/C14H10ClFN2O/c1-7-5-12(19)13(18-14(7)15)11-6-8-9(16)3-2-4-10(8)17-11/h2-6,17,19H,1H3
InChIKeyVASDXAVLSQXTNH-UHFFFAOYSA-N
XLogP4.04
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 54.04
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-fluoro-1H-indol-2-yl)-5-methylpyridin-3-ol?
The IUPAC name of 6-chloro-2-(4-fluoro-1H-indol-2-yl)-5-methylpyridin-3-ol (CID 123153518) is 6-chloro-2-(4-fluoro-1H-indol-2-yl)-5-methylpyridin-3-ol.
What is the SMILES notation for 6-chloro-2-(4-fluoro-1H-indol-2-yl)-5-methylpyridin-3-ol?
The canonical SMILES for 6-chloro-2-(4-fluoro-1H-indol-2-yl)-5-methylpyridin-3-ol is Cc1cc(O)c(-c2cc3c(F)cccc3[nH]2)nc1Cl.
What is the InChIKey of 6-chloro-2-(4-fluoro-1H-indol-2-yl)-5-methylpyridin-3-ol?
The InChIKey is VASDXAVLSQXTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O/c1-7-5-12(19)13(18-14(7)15)11-6-8-9(16)3-2-4-10(8)17-11/h2-6,17,19H,1H3.
What are the key properties of 6-chloro-2-(4-fluoro-1H-indol-2-yl)-5-methylpyridin-3-ol?
6-chloro-2-(4-fluoro-1H-indol-2-yl)-5-methylpyridin-3-ol has a molecular weight of 276.70 g/mol, XLogP of 4.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-fluoro-1H-indol-2-yl)-5-methylpyridin-3-ol is sourced from PubChem (CID 123153518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).