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

C16H15ClFN3 — CID 103049943

IUPAC2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
SMILESNCCc1cn(Cc2cc(Cl)ccc2F)c2ncccc12
InChIInChI=1S/C16H15ClFN3/c17-13-3-4-15(18)12(8-13)10-21-9-11(5-6-19)14-2-1-7-20-16(14)21/h1-4,7-9H,5-6,10,19H2
InChIKeyRFJLLOLSKRDFBW-UHFFFAOYSA-N
MW303.77 g/mol
LogP3.38
Rot. Bonds4

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

2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine (PubChem CID 103049943) has the molecular formula C16H15ClFN3 and a molecular weight of 303.77 g/mol. Its IUPAC name is 2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
PubChem CID103049943
Molecular FormulaC16H15ClFN3
Molecular Weight303.77 g/mol
Exact Mass303.09
IUPAC Name2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
SMILESNCCc1cn(Cc2cc(Cl)ccc2F)c2ncccc12
InChIInChI=1S/C16H15ClFN3/c17-13-3-4-15(18)12(8-13)10-21-9-11(5-6-19)14-2-1-7-20-16(14)21/h1-4,7-9H,5-6,10,19H2
InChIKeyRFJLLOLSKRDFBW-UHFFFAOYSA-N
XLogP3.38
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 79697393
2-[1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 66413022
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 102617098
2-[1-[(5-bromo-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 104811080
2-[1-[2-(trifluoromethoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 66412425
2-[1-(4,4,4-trifluorobutyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 115518332
2-[1-[(4-chloro-2-fluorophenyl)methyl]indol-3-yl]ethanamine
CID 114859178
2-(1-hexylpyrrolo[2,3-b]pyridin-3-yl)ethanamine
CID 66411058
[1-[(3-chloro-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 102856709
2-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 103015076
[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66413713
2-[1-(3,4-difluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 22663035

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
The IUPAC name of 2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine (CID 103049943) is 2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
The canonical SMILES for 2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine is NCCc1cn(Cc2cc(Cl)ccc2F)c2ncccc12.
What is the InChIKey of 2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
The InChIKey is RFJLLOLSKRDFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3/c17-13-3-4-15(18)12(8-13)10-21-9-11(5-6-19)14-2-1-7-20-16(14)21/h1-4,7-9H,5-6,10,19H2.
What are the key properties of 2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine has a molecular weight of 303.77 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine is sourced from PubChem (CID 103049943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).