1-[1-(3-bromo-4-pyridinyl)azetidin-3-yl]-N-methylmethanamine

C10H14BrN3 — CID 131209516

IUPAC1-[1-(3-bromo-4-pyridinyl)azetidin-3-yl]-N-methylmethanamine
SMILESCNCC1CN(c2ccncc2Br)C1
InChIInChI=1S/C10H14BrN3/c1-12-4-8-6-14(7-8)10-2-3-13-5-9(10)11/h2-3,5,8,12H,4,6-7H2,1H3
InChIKeyUGRBVKKMJXOFHS-UHFFFAOYSA-N
MW256.15 g/mol
LogP1.50
Rot. Bonds3

About 1-[1-(3-bromo-4-pyridinyl)azetidin-3-yl]-N-methylmethanamine

1-[1-(3-bromo-4-pyridinyl)azetidin-3-yl]-N-methylmethanamine (PubChem CID 131209516) has the molecular formula C10H14BrN3 and a molecular weight of 256.15 g/mol. Its IUPAC name is 1-[1-(3-bromo-4-pyridinyl)azetidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3-bromo-4-pyridinyl)azetidin-3-yl]-N-methylmethanamine
PubChem CID131209516
Molecular FormulaC10H14BrN3
Molecular Weight256.15 g/mol
Exact Mass255.04
IUPAC Name1-[1-(3-bromo-4-pyridinyl)azetidin-3-yl]-N-methylmethanamine
SMILESCNCC1CN(c2ccncc2Br)C1
InChIInChI=1S/C10H14BrN3/c1-12-4-8-6-14(7-8)10-2-3-13-5-9(10)11/h2-3,5,8,12H,4,6-7H2,1H3
InChIKeyUGRBVKKMJXOFHS-UHFFFAOYSA-N
XLogP1.50
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-bromo-4-pyridinyl)piperidin-4-yl]-N-methylethanamine
CID 113452072
3-bromo-4-[3-(bromomethyl)piperidin-1-yl]pyridine
CID 104779490
(3S)-1-(3-bromo-4-pyridinyl)pyrrolidin-3-amine
CID 124595065
(3S)-1-(3-bromo-4-pyridinyl)-3-methylpiperazine
CID 104977557
3-bromo-4-(3-methylpiperidin-1-yl)pyridine
CID 104777988
N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]propan-1-amine
CID 104779258
3-bromo-4-(4-chloro-3-methylpiperidin-1-yl)pyridine
CID 114682648
3-bromo-4-(3,6-dihydro-2H-pyridin-1-yl)pyridine
CID 114412429
1-[1-(3-bromo-4-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine
CID 104777592
1-(3-bromo-4-pyridinyl)piperidin-4-ol
CID 104777750
4-(4-benzylpiperidin-1-yl)-3-bromopyridine
CID 104778025
3-bromo-4-(4-methoxypiperidin-1-yl)pyridine
CID 104778046

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromo-4-pyridinyl)azetidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3-bromo-4-pyridinyl)azetidin-3-yl]-N-methylmethanamine (CID 131209516) is 1-[1-(3-bromo-4-pyridinyl)azetidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3-bromo-4-pyridinyl)azetidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3-bromo-4-pyridinyl)azetidin-3-yl]-N-methylmethanamine is CNCC1CN(c2ccncc2Br)C1.
What is the InChIKey of 1-[1-(3-bromo-4-pyridinyl)azetidin-3-yl]-N-methylmethanamine?
The InChIKey is UGRBVKKMJXOFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3/c1-12-4-8-6-14(7-8)10-2-3-13-5-9(10)11/h2-3,5,8,12H,4,6-7H2,1H3.
What are the key properties of 1-[1-(3-bromo-4-pyridinyl)azetidin-3-yl]-N-methylmethanamine?
1-[1-(3-bromo-4-pyridinyl)azetidin-3-yl]-N-methylmethanamine has a molecular weight of 256.15 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromo-4-pyridinyl)azetidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 131209516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).