5-bromo-3-pyridin-3-ylpyridin-2-amine

C10H8BrN3 — CID 119084821

IUPAC5-bromo-3-pyridin-3-ylpyridin-2-amine
SMILESNc1ncc(Br)cc1-c1cccnc1
InChIInChI=1S/C10H8BrN3/c11-8-4-9(10(12)14-6-8)7-2-1-3-13-5-7/h1-6H,(H2,12,14)
InChIKeySIMQQHUUNNWOQR-UHFFFAOYSA-N
MW250.10 g/mol
LogP2.49
Rot. Bonds1

About 5-bromo-3-pyridin-3-ylpyridin-2-amine

5-bromo-3-pyridin-3-ylpyridin-2-amine (PubChem CID 119084821) has the molecular formula C10H8BrN3 and a molecular weight of 250.10 g/mol. Its IUPAC name is 5-bromo-3-pyridin-3-ylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-pyridin-3-ylpyridin-2-amine
PubChem CID119084821
Molecular FormulaC10H8BrN3
Molecular Weight250.10 g/mol
Exact Mass248.99
IUPAC Name5-bromo-3-pyridin-3-ylpyridin-2-amine
SMILESNc1ncc(Br)cc1-c1cccnc1
InChIInChI=1S/C10H8BrN3/c11-8-4-9(10(12)14-6-8)7-2-1-3-13-5-7/h1-6H,(H2,12,14)
InChIKeySIMQQHUUNNWOQR-UHFFFAOYSA-N
XLogP2.49
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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5-bromo-4-pyridin-3-ylfuran-2-amine
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3-bromo-5-pyridin-3-ylpyrazin-2-amine
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3-pyridin-3-yl-1,5-naphthyridine-2,7-diamine
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5-pyridin-3-ylpyrimidine-2,4-diamine
CID 118493821
5-bromo-2-pyridin-3-ylpyrimidin-4-amine
CID 66302850
4-fluoro-2,6-dipyridin-3-ylaniline
CID 46316799
2,4-dipyridin-3-ylaniline
CID 46316358
4-(2-amino-5-bromo-3-pyridinyl)-2,6-difluorobenzoic acid
CID 118054629
5-bromo-3-[4-(dimethylaminosulfanyl)phenyl]pyridin-2-amine
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5-(2-amino-5-bromo-3-pyridinyl)-2,3-dihydroisoindol-1-one
CID 122588308

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-pyridin-3-ylpyridin-2-amine?
The IUPAC name of 5-bromo-3-pyridin-3-ylpyridin-2-amine (CID 119084821) is 5-bromo-3-pyridin-3-ylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-pyridin-3-ylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-pyridin-3-ylpyridin-2-amine is Nc1ncc(Br)cc1-c1cccnc1.
What is the InChIKey of 5-bromo-3-pyridin-3-ylpyridin-2-amine?
The InChIKey is SIMQQHUUNNWOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3/c11-8-4-9(10(12)14-6-8)7-2-1-3-13-5-7/h1-6H,(H2,12,14).
What are the key properties of 5-bromo-3-pyridin-3-ylpyridin-2-amine?
5-bromo-3-pyridin-3-ylpyridin-2-amine has a molecular weight of 250.10 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-pyridin-3-ylpyridin-2-amine is sourced from PubChem (CID 119084821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).