3-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridin-2-amine

C16H13F3N4O2 — CID 42886696

IUPAC3-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridin-2-amine
SMILESCC(Nc1nc2ccccn2c1[N+](=O)[O-])c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13F3N4O2/c1-10(11-5-4-6-12(9-11)16(17,18)19)20-14-15(23(24)25)22-8-3-2-7-13(22)21-14/h2-10,20H,1H3
InChIKeyCRRQESODQUEYKL-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.43
Rot. Bonds4

About 3-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridin-2-amine

3-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridin-2-amine (PubChem CID 42886696) has the molecular formula C16H13F3N4O2 and a molecular weight of 350.30 g/mol. Its IUPAC name is 3-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound Name3-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridin-2-amine
PubChem CID42886696
Molecular FormulaC16H13F3N4O2
Molecular Weight350.30 g/mol
Exact Mass350.10
IUPAC Name3-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridin-2-amine
SMILESCC(Nc1nc2ccccn2c1[N+](=O)[O-])c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13F3N4O2/c1-10(11-5-4-6-12(9-11)16(17,18)19)20-14-15(23(24)25)22-8-3-2-7-13(22)21-14/h2-10,20H,1H3
InChIKeyCRRQESODQUEYKL-UHFFFAOYSA-N
XLogP4.43
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095899
N-[1-(1-benzofuran-2-yl)ethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095701
N-[(1R)-2-methylsulfonyl-1-phenylethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 97064461
N-[1-(3-fluorophenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60677982
6-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 146125546
N-(3,5-dimethoxyphenyl)-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095071
N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 24508583
N-[1-(4-methylphenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60967724
N-propan-2-yl-2-[[3-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide
CID 155562544
2-[1-(1-benzofuran-2-yl)ethylamino]-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 55545282
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 56790398
N-[2-(2-methylphenyl)ethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095557

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridin-2-amine?
The IUPAC name of 3-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridin-2-amine (CID 42886696) is 3-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for 3-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for 3-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridin-2-amine is CC(Nc1nc2ccccn2c1[N+](=O)[O-])c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridin-2-amine?
The InChIKey is CRRQESODQUEYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2/c1-10(11-5-4-6-12(9-11)16(17,18)19)20-14-15(23(24)25)22-8-3-2-7-13(22)21-14/h2-10,20H,1H3.
What are the key properties of 3-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridin-2-amine?
3-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridin-2-amine has a molecular weight of 350.30 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 42886696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).