6-fluoro-5-[[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine

C14H10F4N4 — CID 142722790

IUPAC6-fluoro-5-[[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine
SMILESNc1ccc(Cc2c[nH]c3ncc(C(F)(F)F)cc23)c(F)n1
InChIInChI=1S/C14H10F4N4/c15-12-7(1-2-11(19)22-12)3-8-5-20-13-10(8)4-9(6-21-13)14(16,17)18/h1-2,4-6H,3H2,(H2,19,22)(H,20,21)
InChIKeyKWDYYEFJLBWAJP-UHFFFAOYSA-N
MW310.25 g/mol
LogP3.29
Rot. Bonds2

About 6-fluoro-5-[[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine

6-fluoro-5-[[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine (PubChem CID 142722790) has the molecular formula C14H10F4N4 and a molecular weight of 310.25 g/mol. Its IUPAC name is 6-fluoro-5-[[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-5-[[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine
PubChem CID142722790
Molecular FormulaC14H10F4N4
Molecular Weight310.25 g/mol
Exact Mass310.08
IUPAC Name6-fluoro-5-[[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine
SMILESNc1ccc(Cc2c[nH]c3ncc(C(F)(F)F)cc23)c(F)n1
InChIInChI=1S/C14H10F4N4/c15-12-7(1-2-11(19)22-12)3-8-5-20-13-10(8)4-9(6-21-13)14(16,17)18/h1-2,4-6H,3H2,(H2,19,22)(H,20,21)
InChIKeyKWDYYEFJLBWAJP-UHFFFAOYSA-N
XLogP3.29
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.25
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-[[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine?
The IUPAC name of 6-fluoro-5-[[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine (CID 142722790) is 6-fluoro-5-[[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 6-fluoro-5-[[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine?
The canonical SMILES for 6-fluoro-5-[[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine is Nc1ccc(Cc2c[nH]c3ncc(C(F)(F)F)cc23)c(F)n1.
What is the InChIKey of 6-fluoro-5-[[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine?
The InChIKey is KWDYYEFJLBWAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N4/c15-12-7(1-2-11(19)22-12)3-8-5-20-13-10(8)4-9(6-21-13)14(16,17)18/h1-2,4-6H,3H2,(H2,19,22)(H,20,21).
What are the key properties of 6-fluoro-5-[[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine?
6-fluoro-5-[[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine has a molecular weight of 310.25 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-[[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 142722790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).