4-[(5-bromo-2-pyridinyl)sulfanyl]pyridin-3-amine

C10H8BrN3S — CID 62112804

IUPAC4-[(5-bromo-2-pyridinyl)sulfanyl]pyridin-3-amine
SMILESNc1cnccc1Sc1ccc(Br)cn1
InChIInChI=1S/C10H8BrN3S/c11-7-1-2-10(14-5-7)15-9-3-4-13-6-8(9)12/h1-6H,12H2
InChIKeyXJBUXSGQYLJEQZ-UHFFFAOYSA-N
MW282.17 g/mol
LogP2.97
Rot. Bonds2

About 4-[(5-bromo-2-pyridinyl)sulfanyl]pyridin-3-amine

4-[(5-bromo-2-pyridinyl)sulfanyl]pyridin-3-amine (PubChem CID 62112804) has the molecular formula C10H8BrN3S and a molecular weight of 282.17 g/mol. Its IUPAC name is 4-[(5-bromo-2-pyridinyl)sulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name4-[(5-bromo-2-pyridinyl)sulfanyl]pyridin-3-amine
PubChem CID62112804
Molecular FormulaC10H8BrN3S
Molecular Weight282.17 g/mol
Exact Mass280.96
IUPAC Name4-[(5-bromo-2-pyridinyl)sulfanyl]pyridin-3-amine
SMILESNc1cnccc1Sc1ccc(Br)cn1
InChIInChI=1S/C10H8BrN3S/c11-7-1-2-10(14-5-7)15-9-3-4-13-6-8(9)12/h1-6H,12H2
InChIKeyXJBUXSGQYLJEQZ-UHFFFAOYSA-N
XLogP2.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-bromopyrimidin-2-yl)sulfanylpyridin-3-amine
CID 63872669
4-(5-chloropyrazin-2-yl)sulfanylpyridin-3-amine
CID 142433853
4-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]pyridin-3-amine
CID 79718644
4-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-7-amine
CID 103002600
4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine
CID 106796767
3-bromo-8-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-5-amine
CID 106950003
2-[(5-bromo-2-pyridinyl)sulfanyl]-3-methylaniline
CID 115551300
2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylpyridin-4-amine
CID 83270139
(1R)-1-[2-[(5-bromo-2-pyridinyl)sulfanyl]phenyl]ethanamine
CID 78992842
S-(5-bromo-2-pyridinyl)thiohydroxylamine
CID 177140372
4-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridin-3-amine
CID 62112470
4-(1,2,4-thiadiazol-5-ylsulfanyl)pyridin-3-amine
CID 65275012

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-pyridinyl)sulfanyl]pyridin-3-amine?
The IUPAC name of 4-[(5-bromo-2-pyridinyl)sulfanyl]pyridin-3-amine (CID 62112804) is 4-[(5-bromo-2-pyridinyl)sulfanyl]pyridin-3-amine.
What is the SMILES notation for 4-[(5-bromo-2-pyridinyl)sulfanyl]pyridin-3-amine?
The canonical SMILES for 4-[(5-bromo-2-pyridinyl)sulfanyl]pyridin-3-amine is Nc1cnccc1Sc1ccc(Br)cn1.
What is the InChIKey of 4-[(5-bromo-2-pyridinyl)sulfanyl]pyridin-3-amine?
The InChIKey is XJBUXSGQYLJEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3S/c11-7-1-2-10(14-5-7)15-9-3-4-13-6-8(9)12/h1-6H,12H2.
What are the key properties of 4-[(5-bromo-2-pyridinyl)sulfanyl]pyridin-3-amine?
4-[(5-bromo-2-pyridinyl)sulfanyl]pyridin-3-amine has a molecular weight of 282.17 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-pyridinyl)sulfanyl]pyridin-3-amine is sourced from PubChem (CID 62112804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).