N-[(4-bromo-2-fluorophenyl)methyl]-2-chloropyridin-3-amine

C12H9BrClFN2 — CID 43689958

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-2-chloropyridin-3-amine
SMILESFc1cc(Br)ccc1CNc1cccnc1Cl
InChIInChI=1S/C12H9BrClFN2/c13-9-4-3-8(10(15)6-9)7-17-11-2-1-5-16-12(11)14/h1-6,17H,7H2
InChIKeyUPOLFHKGOWXSKL-UHFFFAOYSA-N
MW315.57 g/mol
LogP4.25
Rot. Bonds3

About N-[(4-bromo-2-fluorophenyl)methyl]-2-chloropyridin-3-amine

N-[(4-bromo-2-fluorophenyl)methyl]-2-chloropyridin-3-amine (PubChem CID 43689958) has the molecular formula C12H9BrClFN2 and a molecular weight of 315.57 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-2-chloropyridin-3-amine.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-2-chloropyridin-3-amine
PubChem CID43689958
Molecular FormulaC12H9BrClFN2
Molecular Weight315.57 g/mol
Exact Mass313.96
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-2-chloropyridin-3-amine
SMILESFc1cc(Br)ccc1CNc1cccnc1Cl
InChIInChI=1S/C12H9BrClFN2/c13-9-4-3-8(10(15)6-9)7-17-11-2-1-5-16-12(11)14/h1-6,17H,7H2
InChIKeyUPOLFHKGOWXSKL-UHFFFAOYSA-N
XLogP4.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.57
LogP ≤ 54.25
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-[(4-bromo-2-fluorophenyl)methyl]-2,3-dichloroaniline
CID 43243000
N-[(4-bromo-2-fluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167521
4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoroaniline
CID 114841331
N-[(4-bromo-2-fluorophenyl)methyl]-2,4-dichloroaniline
CID 43242981
N-[(4-chloro-2-fluorophenyl)methyl]-2-methylpyridin-3-amine
CID 114842458
2-bromo-6-[[(2-chloro-3-pyridinyl)amino]methyl]phenol
CID 61390833
N-[(4-bromo-2-chlorophenyl)methyl]-2,3-difluoroaniline
CID 113470955
2-[(4-bromo-2-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 43580240
N-[(4-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 43093210
N-[(4-bromo-2-fluorophenyl)methyl]-2-(triazol-1-yl)aniline
CID 43676139
N-[(4-bromo-2-fluorophenyl)methyl]-5-chloro-2-ethoxyaniline
CID 63450944
N-[(4-bromo-2-fluorophenyl)methyl]pyrazin-2-amine
CID 149012639

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-2-chloropyridin-3-amine?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-2-chloropyridin-3-amine (CID 43689958) is N-[(4-bromo-2-fluorophenyl)methyl]-2-chloropyridin-3-amine.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-2-chloropyridin-3-amine?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-2-chloropyridin-3-amine is Fc1cc(Br)ccc1CNc1cccnc1Cl.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-2-chloropyridin-3-amine?
The InChIKey is UPOLFHKGOWXSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2/c13-9-4-3-8(10(15)6-9)7-17-11-2-1-5-16-12(11)14/h1-6,17H,7H2.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-2-chloropyridin-3-amine?
N-[(4-bromo-2-fluorophenyl)methyl]-2-chloropyridin-3-amine has a molecular weight of 315.57 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]-2-chloropyridin-3-amine is sourced from PubChem (CID 43689958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).