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

C12H9BrClFN2 — CID 59777379

IUPAC5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]pyridin-3-amine
SMILESFc1cc(CNc2cncc(Br)c2)ccc1Cl
InChIInChI=1S/C12H9BrClFN2/c13-9-4-10(7-16-6-9)17-5-8-1-2-11(14)12(15)3-8/h1-4,6-7,17H,5H2
InChIKeyQLDYQIQVKKTYDP-UHFFFAOYSA-N
MW315.57 g/mol
LogP4.25
Rot. Bonds3

About 5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]pyridin-3-amine

5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]pyridin-3-amine (PubChem CID 59777379) has the molecular formula C12H9BrClFN2 and a molecular weight of 315.57 g/mol. Its IUPAC name is 5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]pyridin-3-amine
PubChem CID59777379
Molecular FormulaC12H9BrClFN2
Molecular Weight315.57 g/mol
Exact Mass313.96
IUPAC Name5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]pyridin-3-amine
SMILESFc1cc(CNc2cncc(Br)c2)ccc1Cl
InChIInChI=1S/C12H9BrClFN2/c13-9-4-10(7-16-6-9)17-5-8-1-2-11(14)12(15)3-8/h1-4,6-7,17H,5H2
InChIKeyQLDYQIQVKKTYDP-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

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Related Compounds

N-[(5-bromo-3-pyridinyl)methyl]-3,4-dichloroaniline
CID 113454105
N-[(4-chloro-3-fluorophenyl)methyl]-4-(chloromethyl)aniline
CID 107887420
4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline
CID 43721394
5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]pyridin-3-amine
CID 103702616
5-bromo-N-(pyrimidin-5-ylmethyl)pyridin-3-amine
CID 115770593
4-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2,6-dimethylaniline
CID 55193295
5-N-[(3-chloro-4-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104534286
N-[(4-bromo-3-fluorophenyl)methyl]pyrimidin-5-amine
CID 107587862
N-[(5-bromo-3-pyridinyl)methyl]-1-(3-chloro-4-fluorophenyl)methanamine
CID 113454158
4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoroaniline
CID 81145480
2-chloro-4-[(4-chloro-3-fluorophenyl)methylamino]phenol
CID 107678415
5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline
CID 63445396

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]pyridin-3-amine (CID 59777379) is 5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]pyridin-3-amine is Fc1cc(CNc2cncc(Br)c2)ccc1Cl.
What is the InChIKey of 5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]pyridin-3-amine?
The InChIKey is QLDYQIQVKKTYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2/c13-9-4-10(7-16-6-9)17-5-8-1-2-11(14)12(15)3-8/h1-4,6-7,17H,5H2.
What are the key properties of 5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]pyridin-3-amine?
5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]pyridin-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 5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 59777379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).