6-chloro-4-nitro-N-(5,5,5-trifluoropentyl)pyridin-2-amine

C10H11ClF3N3O2 — CID 103889013

IUPAC6-chloro-4-nitro-N-(5,5,5-trifluoropentyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cc(Cl)nc(NCCCCC(F)(F)F)c1
InChIInChI=1S/C10H11ClF3N3O2/c11-8-5-7(17(18)19)6-9(16-8)15-4-2-1-3-10(12,13)14/h5-6H,1-4H2,(H,15,16)
InChIKeyNVEVFUOVIBZOCG-UHFFFAOYSA-N
MW297.66 g/mol
LogP3.79
Rot. Bonds6

About 6-chloro-4-nitro-N-(5,5,5-trifluoropentyl)pyridin-2-amine

6-chloro-4-nitro-N-(5,5,5-trifluoropentyl)pyridin-2-amine (PubChem CID 103889013) has the molecular formula C10H11ClF3N3O2 and a molecular weight of 297.66 g/mol. Its IUPAC name is 6-chloro-4-nitro-N-(5,5,5-trifluoropentyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-4-nitro-N-(5,5,5-trifluoropentyl)pyridin-2-amine
PubChem CID103889013
Molecular FormulaC10H11ClF3N3O2
Molecular Weight297.66 g/mol
Exact Mass297.05
IUPAC Name6-chloro-4-nitro-N-(5,5,5-trifluoropentyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cc(Cl)nc(NCCCCC(F)(F)F)c1
InChIInChI=1S/C10H11ClF3N3O2/c11-8-5-7(17(18)19)6-9(16-8)15-4-2-1-3-10(12,13)14/h5-6H,1-4H2,(H,15,16)
InChIKeyNVEVFUOVIBZOCG-UHFFFAOYSA-N
XLogP3.79
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.66
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(6-chloro-4-nitro-2-pyridinyl)amino]ethanol
CID 103888263
1-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-3-ol
CID 103888980
6-chloro-N-(3-morpholin-4-ylpropyl)-4-nitropyridin-2-amine
CID 103888266
N-(6-chloro-4-nitro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 103911726
6-chloro-4-N-(4,4,4-trifluorobutyl)pyrimidine-2,4-diamine
CID 79040692
3-chloro-5-nitro-N-(4,4,4-trifluorobutyl)pyridin-2-amine
CID 113245601
6-chloro-N-[2-(cyclopropylmethoxy)ethyl]-4-nitropyridin-2-amine
CID 103888650
6-chloro-4-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine
CID 103888685
6-chloro-N-(2-morpholin-4-ylethyl)-4-nitropyridin-2-amine
CID 113345971
N-(2-but-3-enoxyethyl)-6-chloro-4-nitropyridin-2-amine
CID 103889042
3-[(6-chloro-4-nitro-2-pyridinyl)amino]-N-propylpropanamide
CID 113345985
N-benzyl-6-chloro-4-nitropyridin-2-amine;2,6-dichloro-4-nitropyridine
CID 161281792

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-nitro-N-(5,5,5-trifluoropentyl)pyridin-2-amine?
The IUPAC name of 6-chloro-4-nitro-N-(5,5,5-trifluoropentyl)pyridin-2-amine (CID 103889013) is 6-chloro-4-nitro-N-(5,5,5-trifluoropentyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-4-nitro-N-(5,5,5-trifluoropentyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-4-nitro-N-(5,5,5-trifluoropentyl)pyridin-2-amine is O=[N+]([O-])c1cc(Cl)nc(NCCCCC(F)(F)F)c1.
What is the InChIKey of 6-chloro-4-nitro-N-(5,5,5-trifluoropentyl)pyridin-2-amine?
The InChIKey is NVEVFUOVIBZOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O2/c11-8-5-7(17(18)19)6-9(16-8)15-4-2-1-3-10(12,13)14/h5-6H,1-4H2,(H,15,16).
What are the key properties of 6-chloro-4-nitro-N-(5,5,5-trifluoropentyl)pyridin-2-amine?
6-chloro-4-nitro-N-(5,5,5-trifluoropentyl)pyridin-2-amine has a molecular weight of 297.66 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-nitro-N-(5,5,5-trifluoropentyl)pyridin-2-amine is sourced from PubChem (CID 103889013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).