N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine

C15H12F3N3 — CID 59803892

IUPACN-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESFC(F)(F)c1cccc(CNc2ccc3cc[nH]c3n2)c1
InChIInChI=1S/C15H12F3N3/c16-15(17,18)12-3-1-2-10(8-12)9-20-13-5-4-11-6-7-19-14(11)21-13/h1-8H,9H2,(H2,19,20,21)
InChIKeyFPSQHONTKUQGKD-UHFFFAOYSA-N
MW291.28 g/mol
LogP4.19
Rot. Bonds3

About N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine

N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 59803892) has the molecular formula C15H12F3N3 and a molecular weight of 291.28 g/mol. Its IUPAC name is N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound NameN-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID59803892
Molecular FormulaC15H12F3N3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC NameN-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESFC(F)(F)c1cccc(CNc2ccc3cc[nH]c3n2)c1
InChIInChI=1S/C15H12F3N3/c16-15(17,18)12-3-1-2-10(8-12)9-20-13-5-4-11-6-7-19-14(11)21-13/h1-8H,9H2,(H2,19,20,21)
InChIKeyFPSQHONTKUQGKD-UHFFFAOYSA-N
XLogP4.19
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 67173582
N-(1H-indol-6-ylmethyl)-3-(trifluoromethyl)aniline
CID 102909173
N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 58086745
2-N-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 80771252
N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372312
3-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 51300733
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
2-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine
CID 80939664
1-[3-[4-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-2-yl]phenyl]ethanone
CID 117086963
5-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 63871875
N-(1H-pyrrol-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 55021234
4-iodo-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 28878737

Frequently Asked Questions

What is the IUPAC name of N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 59803892) is N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine is FC(F)(F)c1cccc(CNc2ccc3cc[nH]c3n2)c1.
What is the InChIKey of N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is FPSQHONTKUQGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3/c16-15(17,18)12-3-1-2-10(8-12)9-20-13-5-4-11-6-7-19-14(11)21-13/h1-8H,9H2,(H2,19,20,21).
What are the key properties of N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 291.28 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 59803892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).