1-benzyl-3-fluoropyrrolo[3,2-c]pyridine

C14H11FN2 — CID 176809957

IUPAC1-benzyl-3-fluoropyrrolo[3,2-c]pyridine
SMILESFc1cn(Cc2ccccc2)c2ccncc12
InChIInChI=1S/C14H11FN2/c15-13-10-17(9-11-4-2-1-3-5-11)14-6-7-16-8-12(13)14/h1-8,10H,9H2
InChIKeyAHFHAWSVKFHRMQ-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.22
Rot. Bonds2

About 1-benzyl-3-fluoropyrrolo[3,2-c]pyridine

1-benzyl-3-fluoropyrrolo[3,2-c]pyridine (PubChem CID 176809957) has the molecular formula C14H11FN2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 1-benzyl-3-fluoropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name1-benzyl-3-fluoropyrrolo[3,2-c]pyridine
PubChem CID176809957
Molecular FormulaC14H11FN2
Molecular Weight226.25 g/mol
Exact Mass226.09
IUPAC Name1-benzyl-3-fluoropyrrolo[3,2-c]pyridine
SMILESFc1cn(Cc2ccccc2)c2ccncc12
InChIInChI=1S/C14H11FN2/c15-13-10-17(9-11-4-2-1-3-5-11)14-6-7-16-8-12(13)14/h1-8,10H,9H2
InChIKeyAHFHAWSVKFHRMQ-UHFFFAOYSA-N
XLogP3.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 124783741
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CID 66552989
2-[1-(pyridin-4-ylmethyl)indol-3-yl]acetic acid
CID 22071716
3-benzylpyrido[4,3-d]pyrimidin-4-one
CID 102429043
benzene;bis(1-benzyl-3-methanidylindole);ethane;methane;4H-pyridin-4-ide;bis(yttrium)
CID 159164342
3-bromo-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine
CID 170986154
1-benzyl-3-(imidazol-1-ylmethyl)indole
CID 10062599
1-benzyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)indole-3-carboxamide
CID 78820157
1-benzyl-3-methylindole;ethane
CID 145343697
1-(3-chloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]ethane-1,2-dione
CID 110169325
1-benzyl-4-methylsulfanylpyrrolo[3,2-c]pyridine
CID 154386319
5-benzyl-2-(pyridin-4-ylmethyl)pyrazolo[4,3-c]quinolin-3-one
CID 118724594

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-fluoropyrrolo[3,2-c]pyridine?
The IUPAC name of 1-benzyl-3-fluoropyrrolo[3,2-c]pyridine (CID 176809957) is 1-benzyl-3-fluoropyrrolo[3,2-c]pyridine.
What is the SMILES notation for 1-benzyl-3-fluoropyrrolo[3,2-c]pyridine?
The canonical SMILES for 1-benzyl-3-fluoropyrrolo[3,2-c]pyridine is Fc1cn(Cc2ccccc2)c2ccncc12.
What is the InChIKey of 1-benzyl-3-fluoropyrrolo[3,2-c]pyridine?
The InChIKey is AHFHAWSVKFHRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2/c15-13-10-17(9-11-4-2-1-3-5-11)14-6-7-16-8-12(13)14/h1-8,10H,9H2.
What are the key properties of 1-benzyl-3-fluoropyrrolo[3,2-c]pyridine?
1-benzyl-3-fluoropyrrolo[3,2-c]pyridine has a molecular weight of 226.25 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-fluoropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 176809957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).