5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-3-amine

C12H8BrClF2N2 — CID 114051986

IUPAC5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-3-amine
SMILESFc1ccc(F)c(CNc2cc(Br)cnc2Cl)c1
InChIInChI=1S/C12H8BrClF2N2/c13-8-4-11(12(14)18-6-8)17-5-7-3-9(15)1-2-10(7)16/h1-4,6,17H,5H2
InChIKeyLUQHCGHACKYPHQ-UHFFFAOYSA-N
MW333.56 g/mol
LogP4.39
Rot. Bonds3

About 5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-3-amine

5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-3-amine (PubChem CID 114051986) has the molecular formula C12H8BrClF2N2 and a molecular weight of 333.56 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-3-amine
PubChem CID114051986
Molecular FormulaC12H8BrClF2N2
Molecular Weight333.56 g/mol
Exact Mass331.95
IUPAC Name5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-3-amine
SMILESFc1ccc(F)c(CNc2cc(Br)cnc2Cl)c1
InChIInChI=1S/C12H8BrClF2N2/c13-8-4-11(12(14)18-6-8)17-5-7-3-9(15)1-2-10(7)16/h1-4,6,17H,5H2
InChIKeyLUQHCGHACKYPHQ-UHFFFAOYSA-N
XLogP4.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.56
LogP ≤ 54.39
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

2-[[(5-bromo-2-chloro-3-pyridinyl)amino]methyl]-4-fluorophenol
CID 114051995
5-bromo-2-chloro-N-[(2-chloro-4-fluorophenyl)methyl]pyridin-3-amine
CID 114064009
5-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-2-amine
CID 55235504
2-bromo-5-chloro-N-[(2,5-difluorophenyl)methyl]-4-methylaniline
CID 104722778
3-bromo-N-[(2-chloro-5-fluorophenyl)methyl]quinolin-8-amine
CID 102616013
5-bromo-2-chloro-N-(4-fluorophenoxy)pyridin-3-amine
CID 143829728
N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-fluoroaniline
CID 43381942
5-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-chloropyridin-3-amine
CID 114052008
5-bromo-2-chloro-N-ethylpyridin-3-amine
CID 59619948
6-bromo-N-[(2,5-difluorophenyl)methyl]-5-methylpyridin-3-amine
CID 113379891
2-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyridin-3-amine
CID 114050780
N-[(2,5-difluorophenyl)methyl]-3,5-difluoropyridin-2-amine
CID 112675874

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-3-amine?
The IUPAC name of 5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-3-amine (CID 114051986) is 5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-3-amine is Fc1ccc(F)c(CNc2cc(Br)cnc2Cl)c1.
What is the InChIKey of 5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-3-amine?
The InChIKey is LUQHCGHACKYPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClF2N2/c13-8-4-11(12(14)18-6-8)17-5-7-3-9(15)1-2-10(7)16/h1-4,6,17H,5H2.
What are the key properties of 5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-3-amine?
5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-3-amine has a molecular weight of 333.56 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 114051986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).