(1R)-1-(5-bromo-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride

C10H14BrClN2 — CID 171198670

IUPAC(1R)-1-(5-bromo-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride
SMILESCl.N[C@H](CC1CC1)c1cncc(Br)c1
InChIInChI=1S/C10H13BrN2.ClH/c11-9-4-8(5-13-6-9)10(12)3-7-1-2-7;/h4-7,10H,1-3,12H2;1H/t10-;/m1./s1
InChIKeyTXVBIBZMNGVJTM-HNCPQSOCSA-N
MW277.59 g/mol
LogP3.07
Rot. Bonds3

About (1R)-1-(5-bromo-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride

(1R)-1-(5-bromo-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride (PubChem CID 171198670) has the molecular formula C10H14BrClN2 and a molecular weight of 277.59 g/mol. Its IUPAC name is (1R)-1-(5-bromo-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(5-bromo-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride
PubChem CID171198670
Molecular FormulaC10H14BrClN2
Molecular Weight277.59 g/mol
Exact Mass276.00
IUPAC Name(1R)-1-(5-bromo-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride
SMILESCl.N[C@H](CC1CC1)c1cncc(Br)c1
InChIInChI=1S/C10H13BrN2.ClH/c11-9-4-8(5-13-6-9)10(12)3-7-1-2-7;/h4-7,10H,1-3,12H2;1H/t10-;/m1./s1
InChIKeyTXVBIBZMNGVJTM-HNCPQSOCSA-N
XLogP3.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.59
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
CID 171198661
(1S)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
CID 171218179
(1S)-2-cyclopropyl-1-pyrimidin-5-ylethanamine
CID 130642514
(1S)-1-(5-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine
CID 171312815
(1S)-1-(4-bromophenyl)-2-cyclopropylethanamine;hydrochloride
CID 171219224
1-(5-bromo-3-pyridinyl)propan-1-amine
CID 67392752
(2S)-2-amino-2-(5-bromo-3-pyridinyl)ethanol
CID 124518455
(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine
CID 68652993
(1R)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride
CID 171201503
(3S)-3-amino-3-(5-bromo-3-pyridinyl)propanenitrile;hydrochloride
CID 171259817
(1S)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride
CID 171221041
(1R)-1-(5-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171198685

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromo-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride?
The IUPAC name of (1R)-1-(5-bromo-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride (CID 171198670) is (1R)-1-(5-bromo-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(5-bromo-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(5-bromo-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride is Cl.N[C@H](CC1CC1)c1cncc(Br)c1.
What is the InChIKey of (1R)-1-(5-bromo-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride?
The InChIKey is TXVBIBZMNGVJTM-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H13BrN2.ClH/c11-9-4-8(5-13-6-9)10(12)3-7-1-2-7;/h4-7,10H,1-3,12H2;1H/t10-;/m1./s1.
What are the key properties of (1R)-1-(5-bromo-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride?
(1R)-1-(5-bromo-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride has a molecular weight of 277.59 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-bromo-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride is sourced from PubChem (CID 171198670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).