6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine

C12H7ClF3N3O2 — CID 43330264

IUPAC6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H7ClF3N3O2/c13-10-6-5-9(19(20)21)11(18-10)17-8-3-1-7(2-4-8)12(14,15)16/h1-6H,(H,17,18)
InChIKeyYTAHUDHFVZEFBP-UHFFFAOYSA-N
MW317.65 g/mol
LogP4.41
Rot. Bonds3

About 6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine

6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 43330264) has the molecular formula C12H7ClF3N3O2 and a molecular weight of 317.65 g/mol. Its IUPAC name is 6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID43330264
Molecular FormulaC12H7ClF3N3O2
Molecular Weight317.65 g/mol
Exact Mass317.02
IUPAC Name6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H7ClF3N3O2/c13-10-6-5-9(19(20)21)11(18-10)17-8-3-1-7(2-4-8)12(14,15)16/h1-6H,(H,17,18)
InChIKeyYTAHUDHFVZEFBP-UHFFFAOYSA-N
XLogP4.41
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.65
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-(4-chlorophenyl)-3-nitropyridin-2-amine
CID 43330290
4-[(6-chloro-3-nitro-2-pyridinyl)amino]benzoic acid
CID 70689067
1-N-(6-chloro-3-nitro-2-pyridinyl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43617217
6-chloro-N-[4-(difluoromethoxy)phenyl]-3-nitropyridin-2-amine
CID 43330240
1-[4-[(6-chloro-3-nitro-2-pyridinyl)amino]phenyl]ethanone
CID 118366553
N-(6-chloro-3-nitro-2-pyridinyl)-2-(trifluoromethyl)-3H-benzimidazol-5-amine
CID 146338672
N-(3-bromo-4-fluorophenyl)-6-chloro-3-nitropyridin-2-amine
CID 113452360
1-N-(6-chloro-3-nitro-2-pyridinyl)-4-N-ethyl-4-N-(2-fluoroethyl)benzene-1,4-diamine
CID 140572053
N-(1,3-benzodioxol-5-yl)-6-chloro-3-nitropyridin-2-amine
CID 21329321
6-chloro-N-(3-fluoro-4-piperidin-1-ylphenyl)-3-nitropyridin-2-amine
CID 88545924
N-(6-chloro-3-nitro-2-pyridinyl)-2-methyl-1,3-benzoxazol-5-amine
CID 146338657
6-chloro-N-(2,5-difluorophenyl)-3-nitropyridin-2-amine
CID 43330260

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine (CID 43330264) is 6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine is O=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is YTAHUDHFVZEFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3N3O2/c13-10-6-5-9(19(20)21)11(18-10)17-8-3-1-7(2-4-8)12(14,15)16/h1-6H,(H,17,18).
What are the key properties of 6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 317.65 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 43330264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).