5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridin-3-amine

C10H13BrN2O — CID 130161188

IUPAC5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridin-3-amine
SMILESCC1(CNc2cncc(Br)c2)COC1
InChIInChI=1S/C10H13BrN2O/c1-10(6-14-7-10)5-13-9-2-8(11)3-12-4-9/h2-4,13H,5-7H2,1H3
InChIKeyYITOPZDYKSEALW-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.29
Rot. Bonds3

About 5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridin-3-amine

5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridin-3-amine (PubChem CID 130161188) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridin-3-amine
PubChem CID130161188
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridin-3-amine
SMILESCC1(CNc2cncc(Br)c2)COC1
InChIInChI=1S/C10H13BrN2O/c1-10(6-14-7-10)5-13-9-2-8(11)3-12-4-9/h2-4,13H,5-7H2,1H3
InChIKeyYITOPZDYKSEALW-UHFFFAOYSA-N
XLogP2.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]pyridin-3-amine
CID 107268827
5-bromo-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]pyridin-3-amine
CID 133405812
3-bromo-4-fluoro-N-[(3-methyloxetan-3-yl)methyl]aniline
CID 104777237
5-bromo-N-(2-methylbutan-2-yl)pyridin-3-amine
CID 104531470
1-[[(5-bromo-3-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 113423565
2-chloro-N-[(3-methyloxetan-3-yl)methyl]pyridin-4-amine
CID 103756861
3-[(5-bromo-3-pyridinyl)amino]-2-methylpropan-1-ol
CID 115657175
2-[(5-bromo-3-pyridinyl)amino]ethanol
CID 91636071
1,5-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine
CID 130736530
5-bromo-N-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]pyridin-3-amine
CID 155060431
5-bromo-N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]pyridin-3-amine
CID 97318476
2,4,6-trimethyl-N-[(3-methyloxetan-3-yl)methyl]aniline
CID 107235336

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridin-3-amine (CID 130161188) is 5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridin-3-amine is CC1(CNc2cncc(Br)c2)COC1.
What is the InChIKey of 5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridin-3-amine?
The InChIKey is YITOPZDYKSEALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-10(6-14-7-10)5-13-9-2-8(11)3-12-4-9/h2-4,13H,5-7H2,1H3.
What are the key properties of 5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridin-3-amine?
5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridin-3-amine has a molecular weight of 257.13 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 130161188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).