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

C16H16ClFN2O — CID 11638090

IUPAC7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine;hydrochloride
SMILESCc1[nH]c2c(OCc3ccc(F)cc3)cncc2c1C.Cl
InChIInChI=1S/C16H15FN2O.ClH/c1-10-11(2)19-16-14(10)7-18-8-15(16)20-9-12-3-5-13(17)6-4-12;/h3-8,19H,9H2,1-2H3;1H
InChIKeyXZAWEAUTFZUEMI-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.32
Rot. Bonds3

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

7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine;hydrochloride (PubChem CID 11638090) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine;hydrochloride.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine;hydrochloride
PubChem CID11638090
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine;hydrochloride
SMILESCc1[nH]c2c(OCc3ccc(F)cc3)cncc2c1C.Cl
InChIInChI=1S/C16H15FN2O.ClH/c1-10-11(2)19-16-14(10)7-18-8-15(16)20-9-12-3-5-13(17)6-4-12;/h3-8,19H,9H2,1-2H3;1H
InChIKeyXZAWEAUTFZUEMI-UHFFFAOYSA-N
XLogP4.32
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine;hydrochloride?
The IUPAC name of 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine;hydrochloride (CID 11638090) is 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine;hydrochloride.
What is the SMILES notation for 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine;hydrochloride?
The canonical SMILES for 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine;hydrochloride is Cc1[nH]c2c(OCc3ccc(F)cc3)cncc2c1C.Cl.
What is the InChIKey of 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine;hydrochloride?
The InChIKey is XZAWEAUTFZUEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O.ClH/c1-10-11(2)19-16-14(10)7-18-8-15(16)20-9-12-3-5-13(17)6-4-12;/h3-8,19H,9H2,1-2H3;1H.
What are the key properties of 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine;hydrochloride?
7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine;hydrochloride has a molecular weight of 306.77 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine;hydrochloride is sourced from PubChem (CID 11638090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).