trans-(1R,2R)-2-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclobutan-1-ol

C10H13BrN2O — CID 130736526

IUPACtrans-(1R,2R)-2-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclobutan-1-ol
SMILESCc1nc(N[C@@H]2CC[C@H]2O)ccc1Br
InChIInChI=1S/C10H13BrN2O/c1-6-7(11)2-5-10(12-6)13-8-3-4-9(8)14/h2,5,8-9,14H,3-4H2,1H3,(H,12,13)/t8-,9-/m1/s1
InChIKeyZVSGEGMJPJYKJF-RKDXNWHRSA-N
MW257.13 g/mol
LogP2.09
Rot. Bonds2

About trans-(1R,2R)-2-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclobutan-1-ol

trans-(1R,2R)-2-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclobutan-1-ol (PubChem CID 130736526) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclobutan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclobutan-1-ol
PubChem CID130736526
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Nametrans-(1R,2R)-2-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclobutan-1-ol
SMILESCc1nc(N[C@@H]2CC[C@H]2O)ccc1Br
InChIInChI=1S/C10H13BrN2O/c1-6-7(11)2-5-10(12-6)13-8-3-4-9(8)14/h2,5,8-9,14H,3-4H2,1H3,(H,12,13)/t8-,9-/m1/s1
InChIKeyZVSGEGMJPJYKJF-RKDXNWHRSA-N
XLogP2.09
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-4-[(5-bromo-6-methyl-2-pyridinyl)amino]oxolan-3-ol
CID 128565486
4-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclohexan-1-ol
CID 103915060
1-N-(5-bromo-6-methyl-2-pyridinyl)cycloheptane-1,2-diamine
CID 114046704
5-bromo-N-[2-(chloromethyl)cyclopentyl]-6-methylpyridin-2-amine
CID 106365396
6-[(2-hydroxycyclohexyl)amino]-2-methylpyridine-3-carbonitrile
CID 136544292
trans-(1R,2R)-2-[(6-chloro-2-pyridinyl)amino]cyclobutan-1-ol
CID 131025929
3-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-cyclopropylpyrrolidine-2,5-dione
CID 79048184
N-(5-bromo-6-methyl-2-pyridinyl)-2-(cyclopentylamino)acetamide
CID 79048110
2-bromo-N-(5-bromo-6-methyl-2-pyridinyl)propanamide
CID 107905424
2-[(5,6-dimethylpyrazin-2-yl)amino]cyclohexan-1-ol
CID 114475697
N-(5-bromo-6-methyl-2-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627759
N-(5-bromo-6-methyl-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide
CID 79049026

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclobutan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclobutan-1-ol (CID 130736526) is trans-(1R,2R)-2-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclobutan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclobutan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclobutan-1-ol is Cc1nc(N[C@@H]2CC[C@H]2O)ccc1Br.
What is the InChIKey of trans-(1R,2R)-2-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclobutan-1-ol?
The InChIKey is ZVSGEGMJPJYKJF-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-6-7(11)2-5-10(12-6)13-8-3-4-9(8)14/h2,5,8-9,14H,3-4H2,1H3,(H,12,13)/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclobutan-1-ol?
trans-(1R,2R)-2-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclobutan-1-ol has a molecular weight of 257.13 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclobutan-1-ol is sourced from PubChem (CID 130736526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).