4-[(2-bromo-4-fluorophenyl)methylsulfanyl]pyridin-3-amine

C12H10BrFN2S — CID 43300126

IUPAC4-[(2-bromo-4-fluorophenyl)methylsulfanyl]pyridin-3-amine
SMILESNc1cnccc1SCc1ccc(F)cc1Br
InChIInChI=1S/C12H10BrFN2S/c13-10-5-9(14)2-1-8(10)7-17-12-3-4-16-6-11(12)15/h1-6H,7,15H2
InChIKeyYFRNWQPVDMROLS-UHFFFAOYSA-N
MW313.19 g/mol
LogP3.86
Rot. Bonds3

About 4-[(2-bromo-4-fluorophenyl)methylsulfanyl]pyridin-3-amine

4-[(2-bromo-4-fluorophenyl)methylsulfanyl]pyridin-3-amine (PubChem CID 43300126) has the molecular formula C12H10BrFN2S and a molecular weight of 313.19 g/mol. Its IUPAC name is 4-[(2-bromo-4-fluorophenyl)methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name4-[(2-bromo-4-fluorophenyl)methylsulfanyl]pyridin-3-amine
PubChem CID43300126
Molecular FormulaC12H10BrFN2S
Molecular Weight313.19 g/mol
Exact Mass311.97
IUPAC Name4-[(2-bromo-4-fluorophenyl)methylsulfanyl]pyridin-3-amine
SMILESNc1cnccc1SCc1ccc(F)cc1Br
InChIInChI=1S/C12H10BrFN2S/c13-10-5-9(14)2-1-8(10)7-17-12-3-4-16-6-11(12)15/h1-6H,7,15H2
InChIKeyYFRNWQPVDMROLS-UHFFFAOYSA-N
XLogP3.86
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 43300012
2-bromo-4-fluoro-1-[(2-methylphenyl)sulfanylmethyl]benzene
CID 55191860
3-[(2-bromo-4-fluorophenyl)methylsulfanyl]-4-chloroaniline
CID 79133644
5-fluoro-2-(pyridin-4-ylmethylsulfanyl)aniline
CID 43304430
4-[(2,3-dichlorophenyl)methylsulfanyl]pyridin-3-amine
CID 107306654
4-[(2-amino-5-fluorophenyl)sulfanylmethyl]-3-bromobenzoic acid
CID 102765890
4-[(4-propan-2-ylphenyl)methylsulfanyl]pyridin-3-amine
CID 43300028
2-[(3-amino-4-pyridinyl)sulfanylmethyl]benzonitrile
CID 43299591
2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 60731037
4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]pyridin-3-amine
CID 66365684
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,5-difluorophenyl)acetamide
CID 43299886
[2-(2-bromo-4-fluorophenyl)-1-(3-fluoro-4-pyridinyl)ethyl]hydrazine
CID 105258571

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-4-fluorophenyl)methylsulfanyl]pyridin-3-amine?
The IUPAC name of 4-[(2-bromo-4-fluorophenyl)methylsulfanyl]pyridin-3-amine (CID 43300126) is 4-[(2-bromo-4-fluorophenyl)methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 4-[(2-bromo-4-fluorophenyl)methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 4-[(2-bromo-4-fluorophenyl)methylsulfanyl]pyridin-3-amine is Nc1cnccc1SCc1ccc(F)cc1Br.
What is the InChIKey of 4-[(2-bromo-4-fluorophenyl)methylsulfanyl]pyridin-3-amine?
The InChIKey is YFRNWQPVDMROLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2S/c13-10-5-9(14)2-1-8(10)7-17-12-3-4-16-6-11(12)15/h1-6H,7,15H2.
What are the key properties of 4-[(2-bromo-4-fluorophenyl)methylsulfanyl]pyridin-3-amine?
4-[(2-bromo-4-fluorophenyl)methylsulfanyl]pyridin-3-amine has a molecular weight of 313.19 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-4-fluorophenyl)methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 43300126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).