[3-[(3-bromo-5-chloro-2-pyridinyl)amino]cyclobutyl]methanol

C10H12BrClN2O — CID 164654299

IUPAC[3-[(3-bromo-5-chloro-2-pyridinyl)amino]cyclobutyl]methanol
SMILESOCC1CC(Nc2ncc(Cl)cc2Br)C1
InChIInChI=1S/C10H12BrClN2O/c11-9-3-7(12)4-13-10(9)14-8-1-6(2-8)5-15/h3-4,6,8,15H,1-2,5H2,(H,13,14)
InChIKeyPEBFMKFAUHZYRU-UHFFFAOYSA-N
MW291.58 g/mol
LogP2.68
Rot. Bonds3

About [3-[(3-bromo-5-chloro-2-pyridinyl)amino]cyclobutyl]methanol

[3-[(3-bromo-5-chloro-2-pyridinyl)amino]cyclobutyl]methanol (PubChem CID 164654299) has the molecular formula C10H12BrClN2O and a molecular weight of 291.58 g/mol. Its IUPAC name is [3-[(3-bromo-5-chloro-2-pyridinyl)amino]cyclobutyl]methanol.

Molecular Properties

Compound Name[3-[(3-bromo-5-chloro-2-pyridinyl)amino]cyclobutyl]methanol
PubChem CID164654299
Molecular FormulaC10H12BrClN2O
Molecular Weight291.58 g/mol
Exact Mass289.98
IUPAC Name[3-[(3-bromo-5-chloro-2-pyridinyl)amino]cyclobutyl]methanol
SMILESOCC1CC(Nc2ncc(Cl)cc2Br)C1
InChIInChI=1S/C10H12BrClN2O/c11-9-3-7(12)4-13-10(9)14-8-1-6(2-8)5-15/h3-4,6,8,15H,1-2,5H2,(H,13,14)
InChIKeyPEBFMKFAUHZYRU-UHFFFAOYSA-N
XLogP2.68
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.58
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-chloro-N-cyclohex-3-en-1-ylpyridin-2-amine
CID 114835973
3-bromo-5-chloro-N-(cyclopropylmethyl)pyridin-2-amine
CID 114835596
4-[(3-bromo-5-chloro-2-pyridinyl)amino]pyrrolidin-2-one
CID 107143665
3-bromo-5-chloro-N-(2-chlorocycloheptyl)pyridin-2-amine
CID 114838596
3-bromo-5-chloro-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine
CID 106124986
2-[(3-bromo-5-chloro-2-pyridinyl)amino]propan-1-ol
CID 114835661
3-bromo-5-chloro-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine
CID 130965117
3-bromo-5-chloro-N-(2,2-dimethylcyclobutyl)pyridin-2-amine
CID 130556048
3-bromo-5-chloro-N-methylpyridin-2-amine
CID 51356623
3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114835594
3-[(3-bromo-5-chloro-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 114836148
2-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-ethylbutan-1-ol
CID 114835868

Frequently Asked Questions

What is the IUPAC name of [3-[(3-bromo-5-chloro-2-pyridinyl)amino]cyclobutyl]methanol?
The IUPAC name of [3-[(3-bromo-5-chloro-2-pyridinyl)amino]cyclobutyl]methanol (CID 164654299) is [3-[(3-bromo-5-chloro-2-pyridinyl)amino]cyclobutyl]methanol.
What is the SMILES notation for [3-[(3-bromo-5-chloro-2-pyridinyl)amino]cyclobutyl]methanol?
The canonical SMILES for [3-[(3-bromo-5-chloro-2-pyridinyl)amino]cyclobutyl]methanol is OCC1CC(Nc2ncc(Cl)cc2Br)C1.
What is the InChIKey of [3-[(3-bromo-5-chloro-2-pyridinyl)amino]cyclobutyl]methanol?
The InChIKey is PEBFMKFAUHZYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O/c11-9-3-7(12)4-13-10(9)14-8-1-6(2-8)5-15/h3-4,6,8,15H,1-2,5H2,(H,13,14).
What are the key properties of [3-[(3-bromo-5-chloro-2-pyridinyl)amino]cyclobutyl]methanol?
[3-[(3-bromo-5-chloro-2-pyridinyl)amino]cyclobutyl]methanol has a molecular weight of 291.58 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-bromo-5-chloro-2-pyridinyl)amino]cyclobutyl]methanol is sourced from PubChem (CID 164654299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).