[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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Related Compounds

2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 103049943
(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 66414119
[1-[(2-chlorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66414894
[1-[(3-chloro-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 102856709
2-[1-[(2-chloro-5-fluorophenyl)methyl]indol-3-yl]ethanamine
CID 102620112
[1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66414124
[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66413936
[2-(5-chloroquinolin-8-yl)oxy-5-fluorophenyl]methanamine
CID 43314287
[1-[(1-methylimidazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66416482
[1-(thiophen-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66416677
[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66416663
ethane;2-[1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile
CID 144849193

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).