5-bromo-3-cyclopropylpyridin-2-amine;3-cyclopropylpyridin-2-amine

C16H19BrN4 — CID 159139263

IUPAC5-bromo-3-cyclopropylpyridin-2-amine;3-cyclopropylpyridin-2-amine
SMILESNc1ncc(Br)cc1C1CC1.Nc1ncccc1C1CC1
InChIInChI=1S/C8H9BrN2.C8H10N2/c9-6-3-7(5-1-2-5)8(10)11-4-6;9-8-7(6-3-4-6)2-1-5-10-8/h3-5H,1-2H2,(H2,10,11);1-2,5-6H,3-4H2,(H2,9,10)
InChIKeyKHWVDEYJORBDAW-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.84
Rot. Bonds2

About 5-bromo-3-cyclopropylpyridin-2-amine;3-cyclopropylpyridin-2-amine

5-bromo-3-cyclopropylpyridin-2-amine;3-cyclopropylpyridin-2-amine (PubChem CID 159139263) has the molecular formula C16H19BrN4 and a molecular weight of 347.26 g/mol. Its IUPAC name is 5-bromo-3-cyclopropylpyridin-2-amine;3-cyclopropylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-cyclopropylpyridin-2-amine;3-cyclopropylpyridin-2-amine
PubChem CID159139263
Molecular FormulaC16H19BrN4
Molecular Weight347.26 g/mol
Exact Mass346.08
IUPAC Name5-bromo-3-cyclopropylpyridin-2-amine;3-cyclopropylpyridin-2-amine
SMILESNc1ncc(Br)cc1C1CC1.Nc1ncccc1C1CC1
InChIInChI=1S/C8H9BrN2.C8H10N2/c9-6-3-7(5-1-2-5)8(10)11-4-6;9-8-7(6-3-4-6)2-1-5-10-8/h3-5H,1-2H2,(H2,10,11);1-2,5-6H,3-4H2,(H2,9,10)
InChIKeyKHWVDEYJORBDAW-UHFFFAOYSA-N
XLogP3.84
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromopyridin-2-yl)-3-[(1R,2R)-2-phenylcyclopropyl]thiourea
CID 3003667
PETT deriv. 6
CID 492697
N-(2-amino-5-bromo-3-pyridinyl)-N-benzylideneamine
CID 838785
1-[12-(2-Amino-5-methylpyridin-1-ium-1-yl)dodecyl]-5-methylpyridin-1-ium-2-amine dibromide
CID 24180577
3-Amino-1-bromo-2,6-naphthyridine
CID 5043457
6-Amino-4-(3-bromo-phenyl)-[2,3']bipyridinyl-5-carbonitrile
CID 1989171
N-(4-Bromo-isoquinolin-1-yl)-guanidine
CID 44339232
N-(7-Bromo-isoquinolin-1-yl)-guanidine
CID 44339277
2-Amino-4-(4-bromophenyl)-6-pyridin-3-ylpyridine-3-carbonitrile
CID 3517909
1-[12-(2-Amino-3-methylpyridin-1-ium-1-yl)dodecyl]-3-methylpyridin-1-ium-2-amine dibromide
CID 24741729
US10253017, Example 24
CID 145866189
US10253017, Example 35
CID 145866192

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-cyclopropylpyridin-2-amine;3-cyclopropylpyridin-2-amine?
The IUPAC name of 5-bromo-3-cyclopropylpyridin-2-amine;3-cyclopropylpyridin-2-amine (CID 159139263) is 5-bromo-3-cyclopropylpyridin-2-amine;3-cyclopropylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-cyclopropylpyridin-2-amine;3-cyclopropylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-cyclopropylpyridin-2-amine;3-cyclopropylpyridin-2-amine is Nc1ncc(Br)cc1C1CC1.Nc1ncccc1C1CC1.
What is the InChIKey of 5-bromo-3-cyclopropylpyridin-2-amine;3-cyclopropylpyridin-2-amine?
The InChIKey is KHWVDEYJORBDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2.C8H10N2/c9-6-3-7(5-1-2-5)8(10)11-4-6;9-8-7(6-3-4-6)2-1-5-10-8/h3-5H,1-2H2,(H2,10,11);1-2,5-6H,3-4H2,(H2,9,10).
What are the key properties of 5-bromo-3-cyclopropylpyridin-2-amine;3-cyclopropylpyridin-2-amine?
5-bromo-3-cyclopropylpyridin-2-amine;3-cyclopropylpyridin-2-amine has a molecular weight of 347.26 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-cyclopropylpyridin-2-amine;3-cyclopropylpyridin-2-amine is sourced from PubChem (CID 159139263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).