(5-bromo-2-pyrrolidin-1-yl-4-pyridinyl)methanamine

C10H14BrN3 — CID 130572191

IUPAC(5-bromo-2-pyrrolidin-1-yl-4-pyridinyl)methanamine
SMILESNCc1cc(N2CCCC2)ncc1Br
InChIInChI=1S/C10H14BrN3/c11-9-7-13-10(5-8(9)6-12)14-3-1-2-4-14/h5,7H,1-4,6,12H2
InChIKeyZOKUBMIVLGNEQW-UHFFFAOYSA-N
MW256.15 g/mol
LogP1.90
Rot. Bonds2

About (5-bromo-2-pyrrolidin-1-yl-4-pyridinyl)methanamine

(5-bromo-2-pyrrolidin-1-yl-4-pyridinyl)methanamine (PubChem CID 130572191) has the molecular formula C10H14BrN3 and a molecular weight of 256.15 g/mol. Its IUPAC name is (5-bromo-2-pyrrolidin-1-yl-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-pyrrolidin-1-yl-4-pyridinyl)methanamine
PubChem CID130572191
Molecular FormulaC10H14BrN3
Molecular Weight256.15 g/mol
Exact Mass255.04
IUPAC Name(5-bromo-2-pyrrolidin-1-yl-4-pyridinyl)methanamine
SMILESNCc1cc(N2CCCC2)ncc1Br
InChIInChI=1S/C10H14BrN3/c11-9-7-13-10(5-8(9)6-12)14-3-1-2-4-14/h5,7H,1-4,6,12H2
InChIKeyZOKUBMIVLGNEQW-UHFFFAOYSA-N
XLogP1.90
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-4-methyl-2-pyridinyl)azepane
CID 53408181
(5-bromo-2-morpholin-4-yl-4-pyridinyl)methanol
CID 19437119
[2-(azetidin-1-yl)-5-bromo-3-pyridinyl]methanamine
CID 130548423
4-(5-bromo-4-methyl-2-pyridinyl)thiomorpholine
CID 115773933
5-fluoro-2-pyrrolidin-1-ylpyridin-4-amine
CID 162439734
5-bromo-4-(chloromethyl)-2-(3-methylpyrrolidin-1-yl)pyridine
CID 130572216
[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-chloro-4-pyridinyl]methanamine
CID 114926380
3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 114868973
[5-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methanamine
CID 114926672
5-bromo-2-methyl-4-piperidin-1-ylpyridine
CID 19791137
1-(5-bromo-2-pyridinyl)azocane
CID 55137358
1-(5-bromo-4-methyl-2-pyridinyl)-4,4-dimethylazepane
CID 114870455

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyrrolidin-1-yl-4-pyridinyl)methanamine?
The IUPAC name of (5-bromo-2-pyrrolidin-1-yl-4-pyridinyl)methanamine (CID 130572191) is (5-bromo-2-pyrrolidin-1-yl-4-pyridinyl)methanamine.
What is the SMILES notation for (5-bromo-2-pyrrolidin-1-yl-4-pyridinyl)methanamine?
The canonical SMILES for (5-bromo-2-pyrrolidin-1-yl-4-pyridinyl)methanamine is NCc1cc(N2CCCC2)ncc1Br.
What is the InChIKey of (5-bromo-2-pyrrolidin-1-yl-4-pyridinyl)methanamine?
The InChIKey is ZOKUBMIVLGNEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3/c11-9-7-13-10(5-8(9)6-12)14-3-1-2-4-14/h5,7H,1-4,6,12H2.
What are the key properties of (5-bromo-2-pyrrolidin-1-yl-4-pyridinyl)methanamine?
(5-bromo-2-pyrrolidin-1-yl-4-pyridinyl)methanamine has a molecular weight of 256.15 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyrrolidin-1-yl-4-pyridinyl)methanamine is sourced from PubChem (CID 130572191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).