3,5-dibromo-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine

C11H14Br2N2 — CID 130921142

IUPAC3,5-dibromo-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine
SMILESCC[C@@H]1C[C@H]1CNc1ncc(Br)cc1Br
InChIInChI=1S/C11H14Br2N2/c1-2-7-3-8(7)5-14-11-10(13)4-9(12)6-15-11/h4,6-8H,2-3,5H2,1H3,(H,14,15)/t7-,8+/m1/s1
InChIKeyZAIHNWVDXYICJG-SFYZADRCSA-N
MW334.06 g/mol
LogP4.06
Rot. Bonds4

About 3,5-dibromo-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine

3,5-dibromo-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine (PubChem CID 130921142) has the molecular formula C11H14Br2N2 and a molecular weight of 334.06 g/mol. Its IUPAC name is 3,5-dibromo-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dibromo-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine
PubChem CID130921142
Molecular FormulaC11H14Br2N2
Molecular Weight334.06 g/mol
Exact Mass331.95
IUPAC Name3,5-dibromo-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine
SMILESCC[C@@H]1C[C@H]1CNc1ncc(Br)cc1Br
InChIInChI=1S/C11H14Br2N2/c1-2-7-3-8(7)5-14-11-10(13)4-9(12)6-15-11/h4,6-8H,2-3,5H2,1H3,(H,14,15)/t7-,8+/m1/s1
InChIKeyZAIHNWVDXYICJG-SFYZADRCSA-N
XLogP4.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.06
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-chloro-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine
CID 130965117
3,5-dibromo-N-[(3-methylcyclopentyl)methyl]pyridin-2-amine
CID 107413889
3,5-dibromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridin-2-amine
CID 113413702
3-bromo-2-N-[(4-ethylcyclohexyl)methyl]pyridine-2,5-diamine
CID 79535447
2-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 79718302
3,5-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106373954
3-[(3,5-dibromo-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114630231
3,5-dibromo-N-(3,3-dimethylbutan-2-yl)pyridin-2-amine
CID 104828759
3,5-dibromo-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 104762434
5-bromo-2-[(2-ethyloxolan-3-yl)methylamino]pyridine-3-carboxylic acid
CID 114106055
5-bromo-N-[(4-ethylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796009
3,5-dibromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106374390

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine?
The IUPAC name of 3,5-dibromo-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine (CID 130921142) is 3,5-dibromo-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine.
What is the SMILES notation for 3,5-dibromo-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine?
The canonical SMILES for 3,5-dibromo-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine is CC[C@@H]1C[C@H]1CNc1ncc(Br)cc1Br.
What is the InChIKey of 3,5-dibromo-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine?
The InChIKey is ZAIHNWVDXYICJG-SFYZADRCSA-N. The full InChI is InChI=1S/C11H14Br2N2/c1-2-7-3-8(7)5-14-11-10(13)4-9(12)6-15-11/h4,6-8H,2-3,5H2,1H3,(H,14,15)/t7-,8+/m1/s1.
What are the key properties of 3,5-dibromo-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine?
3,5-dibromo-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine has a molecular weight of 334.06 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine is sourced from PubChem (CID 130921142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).