3-bromo-N-[(3,4-difluorophenyl)methyl]pyridin-4-amine

C12H9BrF2N2 — CID 113452020

IUPAC3-bromo-N-[(3,4-difluorophenyl)methyl]pyridin-4-amine
SMILESFc1ccc(CNc2ccncc2Br)cc1F
InChIInChI=1S/C12H9BrF2N2/c13-9-7-16-4-3-12(9)17-6-8-1-2-10(14)11(15)5-8/h1-5,7H,6H2,(H,16,17)
InChIKeyJAYZRZITHOWTQT-UHFFFAOYSA-N
MW299.12 g/mol
LogP3.73
Rot. Bonds3

About 3-bromo-N-[(3,4-difluorophenyl)methyl]pyridin-4-amine

3-bromo-N-[(3,4-difluorophenyl)methyl]pyridin-4-amine (PubChem CID 113452020) has the molecular formula C12H9BrF2N2 and a molecular weight of 299.12 g/mol. Its IUPAC name is 3-bromo-N-[(3,4-difluorophenyl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-[(3,4-difluorophenyl)methyl]pyridin-4-amine
PubChem CID113452020
Molecular FormulaC12H9BrF2N2
Molecular Weight299.12 g/mol
Exact Mass297.99
IUPAC Name3-bromo-N-[(3,4-difluorophenyl)methyl]pyridin-4-amine
SMILESFc1ccc(CNc2ccncc2Br)cc1F
InChIInChI=1S/C12H9BrF2N2/c13-9-7-16-4-3-12(9)17-6-8-1-2-10(14)11(15)5-8/h1-5,7H,6H2,(H,16,17)
InChIKeyJAYZRZITHOWTQT-UHFFFAOYSA-N
XLogP3.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridin-4-amine
CID 113452010
3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-4-amine
CID 79839987
2-bromo-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)aniline
CID 115511612
3-bromo-N-[(4-methylsulfonylphenyl)methyl]pyridin-4-amine
CID 104776984
2-bromo-5-chloro-N-(isoquinolin-6-ylmethyl)aniline
CID 107038660
3-bromo-N-[(3,4-difluorophenyl)methyl]-4-fluoroaniline
CID 115650344
5-bromo-N-[(3,4-difluorophenyl)methyl]-4-methylpyridin-2-amine
CID 115773984
2,4,5-trifluoro-N-(isoquinolin-6-ylmethyl)aniline
CID 107038325
3-bromo-N-[(3,4-difluorophenyl)methyl]-5-methylpyridin-2-amine
CID 105366846
3-bromo-N-[(3,4-difluorophenyl)methyl]quinolin-8-amine
CID 116783370
N'-(3-bromo-4-pyridinyl)propane-1,3-diamine
CID 104776647
2-bromo-6-[(3,4-difluorophenyl)methylamino]benzoic acid
CID 114887963

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3,4-difluorophenyl)methyl]pyridin-4-amine?
The IUPAC name of 3-bromo-N-[(3,4-difluorophenyl)methyl]pyridin-4-amine (CID 113452020) is 3-bromo-N-[(3,4-difluorophenyl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-[(3,4-difluorophenyl)methyl]pyridin-4-amine?
The canonical SMILES for 3-bromo-N-[(3,4-difluorophenyl)methyl]pyridin-4-amine is Fc1ccc(CNc2ccncc2Br)cc1F.
What is the InChIKey of 3-bromo-N-[(3,4-difluorophenyl)methyl]pyridin-4-amine?
The InChIKey is JAYZRZITHOWTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N2/c13-9-7-16-4-3-12(9)17-6-8-1-2-10(14)11(15)5-8/h1-5,7H,6H2,(H,16,17).
What are the key properties of 3-bromo-N-[(3,4-difluorophenyl)methyl]pyridin-4-amine?
3-bromo-N-[(3,4-difluorophenyl)methyl]pyridin-4-amine has a molecular weight of 299.12 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(3,4-difluorophenyl)methyl]pyridin-4-amine is sourced from PubChem (CID 113452020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).