3-chloro-6-(4-fluoro-3-methylphenyl)-1H-pyrrolo[3,2-b]pyridine

C14H10ClFN2 — CID 140765188

IUPAC3-chloro-6-(4-fluoro-3-methylphenyl)-1H-pyrrolo[3,2-b]pyridine
SMILESCc1cc(-c2cnc3c(Cl)c[nH]c3c2)ccc1F
InChIInChI=1S/C14H10ClFN2/c1-8-4-9(2-3-12(8)16)10-5-13-14(18-6-10)11(15)7-17-13/h2-7,17H,1H3
InChIKeyKPHWWIGSFJDHPD-UHFFFAOYSA-N
MW260.70 g/mol
LogP4.33
Rot. Bonds1

About 3-chloro-6-(4-fluoro-3-methylphenyl)-1H-pyrrolo[3,2-b]pyridine

3-chloro-6-(4-fluoro-3-methylphenyl)-1H-pyrrolo[3,2-b]pyridine (PubChem CID 140765188) has the molecular formula C14H10ClFN2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 3-chloro-6-(4-fluoro-3-methylphenyl)-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-chloro-6-(4-fluoro-3-methylphenyl)-1H-pyrrolo[3,2-b]pyridine
PubChem CID140765188
Molecular FormulaC14H10ClFN2
Molecular Weight260.70 g/mol
Exact Mass260.05
IUPAC Name3-chloro-6-(4-fluoro-3-methylphenyl)-1H-pyrrolo[3,2-b]pyridine
SMILESCc1cc(-c2cnc3c(Cl)c[nH]c3c2)ccc1F
InChIInChI=1S/C14H10ClFN2/c1-8-4-9(2-3-12(8)16)10-5-13-14(18-6-10)11(15)7-17-13/h2-7,17H,1H3
InChIKeyKPHWWIGSFJDHPD-UHFFFAOYSA-N
XLogP4.33
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(4-fluoro-3-methylphenyl)-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 3-chloro-6-(4-fluoro-3-methylphenyl)-1H-pyrrolo[3,2-b]pyridine (CID 140765188) is 3-chloro-6-(4-fluoro-3-methylphenyl)-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-chloro-6-(4-fluoro-3-methylphenyl)-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-chloro-6-(4-fluoro-3-methylphenyl)-1H-pyrrolo[3,2-b]pyridine is Cc1cc(-c2cnc3c(Cl)c[nH]c3c2)ccc1F.
What is the InChIKey of 3-chloro-6-(4-fluoro-3-methylphenyl)-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is KPHWWIGSFJDHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2/c1-8-4-9(2-3-12(8)16)10-5-13-14(18-6-10)11(15)7-17-13/h2-7,17H,1H3.
What are the key properties of 3-chloro-6-(4-fluoro-3-methylphenyl)-1H-pyrrolo[3,2-b]pyridine?
3-chloro-6-(4-fluoro-3-methylphenyl)-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 260.70 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(4-fluoro-3-methylphenyl)-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 140765188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).