N-(2-bromo-4-chlorophenyl)-6-fluoropyridin-2-amine

C11H7BrClFN2 — CID 81281101

IUPACN-(2-bromo-4-chlorophenyl)-6-fluoropyridin-2-amine
SMILESFc1cccc(Nc2ccc(Cl)cc2Br)n1
InChIInChI=1S/C11H7BrClFN2/c12-8-6-7(13)4-5-9(8)15-11-3-1-2-10(14)16-11/h1-6H,(H,15,16)
InChIKeyLIDDCWGRJPCBQD-UHFFFAOYSA-N
MW301.55 g/mol
LogP4.38
Rot. Bonds2

About N-(2-bromo-4-chlorophenyl)-6-fluoropyridin-2-amine

N-(2-bromo-4-chlorophenyl)-6-fluoropyridin-2-amine (PubChem CID 81281101) has the molecular formula C11H7BrClFN2 and a molecular weight of 301.55 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-6-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-6-fluoropyridin-2-amine
PubChem CID81281101
Molecular FormulaC11H7BrClFN2
Molecular Weight301.55 g/mol
Exact Mass299.95
IUPAC NameN-(2-bromo-4-chlorophenyl)-6-fluoropyridin-2-amine
SMILESFc1cccc(Nc2ccc(Cl)cc2Br)n1
InChIInChI=1S/C11H7BrClFN2/c12-8-6-7(13)4-5-9(8)15-11-3-1-2-10(14)16-11/h1-6H,(H,15,16)
InChIKeyLIDDCWGRJPCBQD-UHFFFAOYSA-N
XLogP4.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.55
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-fluorophenyl)-6-fluoropyridin-2-amine
CID 61229571
N-(2-chloro-4-fluorophenyl)-6-fluoropyridin-2-amine
CID 61228585
N-(2-bromo-4-chlorophenyl)-2-chloropyrimidin-4-amine
CID 81280685
6-N-(4-chloro-2-fluorophenyl)pyridine-2,6-diamine
CID 80653049
N-(4-bromo-2-ethylphenyl)-6-fluoropyridin-2-amine
CID 81287353
3-chloro-4-[(6-fluoro-2-pyridinyl)amino]benzonitrile
CID 107809583
6-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile
CID 64595678
2-N-(2-bromo-4-chlorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 81262204
N-[(3-bromo-4-fluorophenyl)methyl]-6-fluoropyridin-2-amine
CID 113228051
6-N-(2,4-dibromophenyl)-2-N-methylpyridine-2,6-diamine
CID 80801057
N-(2-bromo-4-chlorophenyl)-6-chloro-4-nitropyridin-2-amine
CID 114070862
4-N-(2-bromo-4-chlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 81272137

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)-6-fluoropyridin-2-amine?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-6-fluoropyridin-2-amine (CID 81281101) is N-(2-bromo-4-chlorophenyl)-6-fluoropyridin-2-amine.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-6-fluoropyridin-2-amine?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-6-fluoropyridin-2-amine is Fc1cccc(Nc2ccc(Cl)cc2Br)n1.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-6-fluoropyridin-2-amine?
The InChIKey is LIDDCWGRJPCBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClFN2/c12-8-6-7(13)4-5-9(8)15-11-3-1-2-10(14)16-11/h1-6H,(H,15,16).
What are the key properties of N-(2-bromo-4-chlorophenyl)-6-fluoropyridin-2-amine?
N-(2-bromo-4-chlorophenyl)-6-fluoropyridin-2-amine has a molecular weight of 301.55 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)-6-fluoropyridin-2-amine is sourced from PubChem (CID 81281101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).