N-(3-bromo-4-fluorophenyl)-6-chloro-3-nitropyridin-2-amine

C11H6BrClFN3O2 — CID 113452360

IUPACN-(3-bromo-4-fluorophenyl)-6-chloro-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(F)c(Br)c1
InChIInChI=1S/C11H6BrClFN3O2/c12-7-5-6(1-2-8(7)14)15-11-9(17(18)19)3-4-10(13)16-11/h1-5H,(H,15,16)
InChIKeyIKYLIUMHEDABJI-UHFFFAOYSA-N
MW346.54 g/mol
LogP4.29
Rot. Bonds3

About N-(3-bromo-4-fluorophenyl)-6-chloro-3-nitropyridin-2-amine

N-(3-bromo-4-fluorophenyl)-6-chloro-3-nitropyridin-2-amine (PubChem CID 113452360) has the molecular formula C11H6BrClFN3O2 and a molecular weight of 346.54 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-6-chloro-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-6-chloro-3-nitropyridin-2-amine
PubChem CID113452360
Molecular FormulaC11H6BrClFN3O2
Molecular Weight346.54 g/mol
Exact Mass344.93
IUPAC NameN-(3-bromo-4-fluorophenyl)-6-chloro-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(F)c(Br)c1
InChIInChI=1S/C11H6BrClFN3O2/c12-7-5-6(1-2-8(7)14)15-11-9(17(18)19)3-4-10(13)16-11/h1-5H,(H,15,16)
InChIKeyIKYLIUMHEDABJI-UHFFFAOYSA-N
XLogP4.29
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 54.29
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'}

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Related Compounds

2-N-(3-bromo-4-fluorophenyl)-3-nitropyridine-2,6-diamine
CID 104782017
6-chloro-N-(4-chlorophenyl)-3-nitropyridin-2-amine
CID 43330290
2-N-(3-bromo-4-chlorophenyl)-3-nitropyridine-2,6-diamine
CID 80855442
6-chloro-N-(2,5-difluorophenyl)-3-nitropyridin-2-amine
CID 43330260
6-chloro-N-(3-fluoro-4-piperidin-1-ylphenyl)-3-nitropyridin-2-amine
CID 88545924
6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 43330264
N-(1,3-benzodioxol-5-yl)-6-chloro-3-nitropyridin-2-amine
CID 21329321
1-N-(6-chloro-3-nitro-2-pyridinyl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43617217
4-[(6-chloro-3-nitro-2-pyridinyl)amino]benzoic acid
CID 70689067
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-methyl-1,3-benzoxazol-5-amine
CID 146338657

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-6-chloro-3-nitropyridin-2-amine?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-6-chloro-3-nitropyridin-2-amine (CID 113452360) is N-(3-bromo-4-fluorophenyl)-6-chloro-3-nitropyridin-2-amine.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-6-chloro-3-nitropyridin-2-amine?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-6-chloro-3-nitropyridin-2-amine is O=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(F)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-6-chloro-3-nitropyridin-2-amine?
The InChIKey is IKYLIUMHEDABJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClFN3O2/c12-7-5-6(1-2-8(7)14)15-11-9(17(18)19)3-4-10(13)16-11/h1-5H,(H,15,16).
What are the key properties of N-(3-bromo-4-fluorophenyl)-6-chloro-3-nitropyridin-2-amine?
N-(3-bromo-4-fluorophenyl)-6-chloro-3-nitropyridin-2-amine has a molecular weight of 346.54 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-6-chloro-3-nitropyridin-2-amine is sourced from PubChem (CID 113452360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).