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

C11H14BrClN2 — CID 130965117

IUPAC3-bromo-5-chloro-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine
SMILESCC[C@@H]1C[C@H]1CNc1ncc(Cl)cc1Br
InChIInChI=1S/C11H14BrClN2/c1-2-7-3-8(7)5-14-11-10(12)4-9(13)6-15-11/h4,6-8H,2-3,5H2,1H3,(H,14,15)/t7-,8+/m1/s1
InChIKeyNNJFMRUCBUJXRM-SFYZADRCSA-N
MW289.60 g/mol
LogP3.96
Rot. Bonds4

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

3-bromo-5-chloro-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine (PubChem CID 130965117) has the molecular formula C11H14BrClN2 and a molecular weight of 289.60 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine
PubChem CID130965117
Molecular FormulaC11H14BrClN2
Molecular Weight289.60 g/mol
Exact Mass288.00
IUPAC Name3-bromo-5-chloro-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine
SMILESCC[C@@H]1C[C@H]1CNc1ncc(Cl)cc1Br
InChIInChI=1S/C11H14BrClN2/c1-2-7-3-8(7)5-14-11-10(12)4-9(13)6-15-11/h4,6-8H,2-3,5H2,1H3,(H,14,15)/t7-,8+/m1/s1
InChIKeyNNJFMRUCBUJXRM-SFYZADRCSA-N
XLogP3.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.60
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-5-chloro-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dibromo-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine
CID 130921142
3-bromo-5-chloro-N-(cyclopropylmethyl)pyridin-2-amine
CID 114835596
3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114835594
3-bromo-5-chloro-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine
CID 106124986
5-chloro-3-fluoro-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine
CID 115681742
3-bromo-5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridin-2-amine
CID 114835915
3-bromo-5-chloro-N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329478
3-bromo-5-chloro-N-(3-chloro-2-methylpropyl)pyridin-2-amine
CID 114838511
3-bromo-5-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 114835731
N'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine
CID 114835533
3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine
CID 114838460
3-bromo-5-chloro-N-methylpyridin-2-amine
CID 51356623

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine (CID 130965117) is 3-bromo-5-chloro-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine is CC[C@@H]1C[C@H]1CNc1ncc(Cl)cc1Br.
What is the InChIKey of 3-bromo-5-chloro-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine?
The InChIKey is NNJFMRUCBUJXRM-SFYZADRCSA-N. The full InChI is InChI=1S/C11H14BrClN2/c1-2-7-3-8(7)5-14-11-10(12)4-9(13)6-15-11/h4,6-8H,2-3,5H2,1H3,(H,14,15)/t7-,8+/m1/s1.
What are the key properties of 3-bromo-5-chloro-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine?
3-bromo-5-chloro-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine has a molecular weight of 289.60 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine is sourced from PubChem (CID 130965117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).