3-[(4-bromo-3-chloro-2-fluorophenyl)methyl]pyridin-2-amine

C12H9BrClFN2 — CID 106763395

IUPAC3-[(4-bromo-3-chloro-2-fluorophenyl)methyl]pyridin-2-amine
SMILESNc1ncccc1Cc1ccc(Br)c(Cl)c1F
InChIInChI=1S/C12H9BrClFN2/c13-9-4-3-7(11(15)10(9)14)6-8-2-1-5-17-12(8)16/h1-5H,6H2,(H2,16,17)
InChIKeyQNYUHTGXMKERIO-UHFFFAOYSA-N
MW315.57 g/mol
LogP3.81
Rot. Bonds2

About 3-[(4-bromo-3-chloro-2-fluorophenyl)methyl]pyridin-2-amine

3-[(4-bromo-3-chloro-2-fluorophenyl)methyl]pyridin-2-amine (PubChem CID 106763395) has the molecular formula C12H9BrClFN2 and a molecular weight of 315.57 g/mol. Its IUPAC name is 3-[(4-bromo-3-chloro-2-fluorophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(4-bromo-3-chloro-2-fluorophenyl)methyl]pyridin-2-amine
PubChem CID106763395
Molecular FormulaC12H9BrClFN2
Molecular Weight315.57 g/mol
Exact Mass313.96
IUPAC Name3-[(4-bromo-3-chloro-2-fluorophenyl)methyl]pyridin-2-amine
SMILESNc1ncccc1Cc1ccc(Br)c(Cl)c1F
InChIInChI=1S/C12H9BrClFN2/c13-9-4-3-7(11(15)10(9)14)6-8-2-1-5-17-12(8)16/h1-5H,6H2,(H2,16,17)
InChIKeyQNYUHTGXMKERIO-UHFFFAOYSA-N
XLogP3.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.57
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-[(2-chloro-4-methylphenyl)methyl]pyridin-2-amine
CID 106870023
2-(2-amino-3-pyridinyl)-1-(4-bromo-3-fluorophenyl)ethanol
CID 81447980
3-[(3-chlorothiophen-2-yl)methyl]pyridin-2-amine
CID 107360745
2-(4-bromo-3-chloro-2-fluorophenyl)pyridin-3-ol
CID 106763882
2-(2-amino-3-pyridinyl)-1-(3-bromo-5-fluorophenyl)ethanol
CID 66425032
1-(2-amino-3-pyridinyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol
CID 82802957
(4-bromo-3-chloro-2-fluorophenyl)-(3-fluoro-2-pyridinyl)methanone
CID 106761878
3-[(3-chloro-4-methylphenyl)methyl]pyridin-2-amine
CID 107560925
3-[2-amino-2-(3-bromo-4-fluorophenyl)ethyl]pyridin-2-amine
CID 82809422
[(4-bromo-3-chloro-2-fluorophenyl)-pyridin-2-ylmethyl]hydrazine
CID 106765183
1-(4-bromo-3-chloro-2-fluorophenyl)-N,4-dimethylpentan-3-amine
CID 106763451
3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine
CID 82809316

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-3-chloro-2-fluorophenyl)methyl]pyridin-2-amine?
The IUPAC name of 3-[(4-bromo-3-chloro-2-fluorophenyl)methyl]pyridin-2-amine (CID 106763395) is 3-[(4-bromo-3-chloro-2-fluorophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[(4-bromo-3-chloro-2-fluorophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 3-[(4-bromo-3-chloro-2-fluorophenyl)methyl]pyridin-2-amine is Nc1ncccc1Cc1ccc(Br)c(Cl)c1F.
What is the InChIKey of 3-[(4-bromo-3-chloro-2-fluorophenyl)methyl]pyridin-2-amine?
The InChIKey is QNYUHTGXMKERIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2/c13-9-4-3-7(11(15)10(9)14)6-8-2-1-5-17-12(8)16/h1-5H,6H2,(H2,16,17).
What are the key properties of 3-[(4-bromo-3-chloro-2-fluorophenyl)methyl]pyridin-2-amine?
3-[(4-bromo-3-chloro-2-fluorophenyl)methyl]pyridin-2-amine has a molecular weight of 315.57 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-3-chloro-2-fluorophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 106763395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).