5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine

C16H14ClFN2O — CID 11594663

IUPAC5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine
SMILESCc1[nH]c2c(OCc3ccc(F)cc3)nc(Cl)cc2c1C
InChIInChI=1S/C16H14ClFN2O/c1-9-10(2)19-15-13(9)7-14(17)20-16(15)21-8-11-3-5-12(18)6-4-11/h3-7,19H,8H2,1-2H3
InChIKeyLAQGGAQCSDEHIV-UHFFFAOYSA-N
MW304.75 g/mol
LogP4.55
Rot. Bonds3

About 5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine

5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine (PubChem CID 11594663) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is 5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine
PubChem CID11594663
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC Name5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine
SMILESCc1[nH]c2c(OCc3ccc(F)cc3)nc(Cl)cc2c1C
InChIInChI=1S/C16H14ClFN2O/c1-9-10(2)19-15-13(9)7-14(17)20-16(15)21-8-11-3-5-12(18)6-4-11/h3-7,19H,8H2,1-2H3
InChIKeyLAQGGAQCSDEHIV-UHFFFAOYSA-N
XLogP4.55
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 54.55
H-Bond Donors ≤ 51
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 5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine (CID 11594663) is 5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine is Cc1[nH]c2c(OCc3ccc(F)cc3)nc(Cl)cc2c1C.
What is the InChIKey of 5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is LAQGGAQCSDEHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c1-9-10(2)19-15-13(9)7-14(17)20-16(15)21-8-11-3-5-12(18)6-4-11/h3-7,19H,8H2,1-2H3.
What are the key properties of 5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine?
5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 304.75 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 11594663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).