N-[(3,5-dibromo-2-pyridinyl)methyl]-3-fluoroaniline

C12H9Br2FN2 — CID 113393630

IUPACN-[(3,5-dibromo-2-pyridinyl)methyl]-3-fluoroaniline
SMILESFc1cccc(NCc2ncc(Br)cc2Br)c1
InChIInChI=1S/C12H9Br2FN2/c13-8-4-11(14)12(17-6-8)7-16-10-3-1-2-9(15)5-10/h1-6,16H,7H2
InChIKeyKMIFKTISQRABOQ-UHFFFAOYSA-N
MW360.02 g/mol
LogP4.36
Rot. Bonds3

About N-[(3,5-dibromo-2-pyridinyl)methyl]-3-fluoroaniline

N-[(3,5-dibromo-2-pyridinyl)methyl]-3-fluoroaniline (PubChem CID 113393630) has the molecular formula C12H9Br2FN2 and a molecular weight of 360.02 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-pyridinyl)methyl]-3-fluoroaniline.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-pyridinyl)methyl]-3-fluoroaniline
PubChem CID113393630
Molecular FormulaC12H9Br2FN2
Molecular Weight360.02 g/mol
Exact Mass357.91
IUPAC NameN-[(3,5-dibromo-2-pyridinyl)methyl]-3-fluoroaniline
SMILESFc1cccc(NCc2ncc(Br)cc2Br)c1
InChIInChI=1S/C12H9Br2FN2/c13-8-4-11(14)12(17-6-8)7-16-10-3-1-2-9(15)5-10/h1-6,16H,7H2
InChIKeyKMIFKTISQRABOQ-UHFFFAOYSA-N
XLogP4.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.02
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-fluoroanilino)methyl]pyridin-3-amine
CID 105470902
N-[(3-bromo-5-fluorophenyl)methyl]-3-fluoroaniline
CID 79710160
5-bromo-3-chloro-N-(3-fluorophenyl)pyridin-2-amine
CID 103583086
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-3-fluoroaniline
CID 107342181
N-[2-(4-bromophenoxy)ethyl]-3-fluoroaniline
CID 60678805
N-(2,2-difluoroethyl)-3-fluoroaniline
CID 60922269
2-chloro-N-[(3,5-dibromo-2-pyridinyl)methyl]-5-methylaniline
CID 107631263
2-[(3-fluoroanilino)methyl]phenol
CID 27267422
5-[(3-fluoroanilino)methyl]-2-methylpyrimidin-4-amine
CID 155559046
N'-(3-fluorophenyl)-N-phenylmethanediamine
CID 141068458
N-[(2-ethylpyrazol-3-yl)methyl]-3-fluoroaniline
CID 19619281
5-bromo-N-(3-fluorophenyl)pyrimidin-4-amine
CID 66342584

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-pyridinyl)methyl]-3-fluoroaniline?
The IUPAC name of N-[(3,5-dibromo-2-pyridinyl)methyl]-3-fluoroaniline (CID 113393630) is N-[(3,5-dibromo-2-pyridinyl)methyl]-3-fluoroaniline.
What is the SMILES notation for N-[(3,5-dibromo-2-pyridinyl)methyl]-3-fluoroaniline?
The canonical SMILES for N-[(3,5-dibromo-2-pyridinyl)methyl]-3-fluoroaniline is Fc1cccc(NCc2ncc(Br)cc2Br)c1.
What is the InChIKey of N-[(3,5-dibromo-2-pyridinyl)methyl]-3-fluoroaniline?
The InChIKey is KMIFKTISQRABOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2FN2/c13-8-4-11(14)12(17-6-8)7-16-10-3-1-2-9(15)5-10/h1-6,16H,7H2.
What are the key properties of N-[(3,5-dibromo-2-pyridinyl)methyl]-3-fluoroaniline?
N-[(3,5-dibromo-2-pyridinyl)methyl]-3-fluoroaniline has a molecular weight of 360.02 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-2-pyridinyl)methyl]-3-fluoroaniline is sourced from PubChem (CID 113393630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).