[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine

C15H13ClFN3 — CID 102617098

IUPAC[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
SMILESNCc1cn(Cc2cc(F)ccc2Cl)c2ncccc12
InChIInChI=1S/C15H13ClFN3/c16-14-4-3-12(17)6-10(14)8-20-9-11(7-18)13-2-1-5-19-15(13)20/h1-6,9H,7-8,18H2
InChIKeySNCBINUWNVGDJP-UHFFFAOYSA-N
MW289.74 g/mol
LogP3.34
Rot. Bonds3

About [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine

[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine (PubChem CID 102617098) has the molecular formula C15H13ClFN3 and a molecular weight of 289.74 g/mol. Its IUPAC name is [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
PubChem CID102617098
Molecular FormulaC15H13ClFN3
Molecular Weight289.74 g/mol
Exact Mass289.08
IUPAC Name[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
SMILESNCc1cn(Cc2cc(F)ccc2Cl)c2ncccc12
InChIInChI=1S/C15H13ClFN3/c16-14-4-3-12(17)6-10(14)8-20-9-11(7-18)13-2-1-5-19-15(13)20/h1-6,9H,7-8,18H2
InChIKeySNCBINUWNVGDJP-UHFFFAOYSA-N
XLogP3.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine?
The IUPAC name of [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine (CID 102617098) is [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine.
What is the SMILES notation for [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine?
The canonical SMILES for [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine is NCc1cn(Cc2cc(F)ccc2Cl)c2ncccc12.
What is the InChIKey of [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine?
The InChIKey is SNCBINUWNVGDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3/c16-14-4-3-12(17)6-10(14)8-20-9-11(7-18)13-2-1-5-19-15(13)20/h1-6,9H,7-8,18H2.
What are the key properties of [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine?
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine has a molecular weight of 289.74 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine is sourced from PubChem (CID 102617098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).