1-[[(2-bromo-3-pyridinyl)amino]methyl]cyclobutan-1-ol

C10H13BrN2O — CID 130992232

IUPAC1-[[(2-bromo-3-pyridinyl)amino]methyl]cyclobutan-1-ol
SMILESOC1(CNc2cccnc2Br)CCC1
InChIInChI=1S/C10H13BrN2O/c11-9-8(3-1-6-12-9)13-7-10(14)4-2-5-10/h1,3,6,13-14H,2,4-5,7H2
InChIKeyMYUCLMQVHNYDEJ-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.17
Rot. Bonds3

About 1-[[(2-bromo-3-pyridinyl)amino]methyl]cyclobutan-1-ol

1-[[(2-bromo-3-pyridinyl)amino]methyl]cyclobutan-1-ol (PubChem CID 130992232) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 1-[[(2-bromo-3-pyridinyl)amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[(2-bromo-3-pyridinyl)amino]methyl]cyclobutan-1-ol
PubChem CID130992232
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name1-[[(2-bromo-3-pyridinyl)amino]methyl]cyclobutan-1-ol
SMILESOC1(CNc2cccnc2Br)CCC1
InChIInChI=1S/C10H13BrN2O/c11-9-8(3-1-6-12-9)13-7-10(14)4-2-5-10/h1,3,6,13-14H,2,4-5,7H2
InChIKeyMYUCLMQVHNYDEJ-UHFFFAOYSA-N
XLogP2.17
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-[(1-hydroxycyclobutyl)methylamino]benzonitrile
CID 114884527
1-[(2-ethoxyanilino)methyl]cyclobutan-1-ol
CID 131701664
1-[(2-methoxyanilino)methyl]cyclobutan-1-ol
CID 131701666
1-[(quinolin-4-ylamino)methyl]cyclopentan-1-ol
CID 65110731
1-[(2,3-difluoroanilino)methyl]cyclohexan-1-ol
CID 61077001
1-[(pyrimidin-4-ylamino)methyl]cyclobutan-1-ol
CID 115774912
2-bromo-N-[(4-piperidin-1-ylphenyl)methyl]pyridin-3-amine
CID 104819734
1-[[3-bromo-2-(methoxymethyl)anilino]methyl]cycloheptan-1-ol
CID 61167751
1-[(pyrimidin-2-ylmethylamino)methyl]cycloheptan-1-ol
CID 65123258
1-[(2-ethylanilino)methyl]cyclohexan-1-ol
CID 60901849
1-[(4-amino-2-bromoanilino)methyl]cyclopentan-1-ol
CID 65102596
1-[[(4-methyl-2-pyridinyl)amino]methyl]cyclobutan-1-ol
CID 115695376

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-bromo-3-pyridinyl)amino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[(2-bromo-3-pyridinyl)amino]methyl]cyclobutan-1-ol (CID 130992232) is 1-[[(2-bromo-3-pyridinyl)amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[(2-bromo-3-pyridinyl)amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[(2-bromo-3-pyridinyl)amino]methyl]cyclobutan-1-ol is OC1(CNc2cccnc2Br)CCC1.
What is the InChIKey of 1-[[(2-bromo-3-pyridinyl)amino]methyl]cyclobutan-1-ol?
The InChIKey is MYUCLMQVHNYDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c11-9-8(3-1-6-12-9)13-7-10(14)4-2-5-10/h1,3,6,13-14H,2,4-5,7H2.
What are the key properties of 1-[[(2-bromo-3-pyridinyl)amino]methyl]cyclobutan-1-ol?
1-[[(2-bromo-3-pyridinyl)amino]methyl]cyclobutan-1-ol has a molecular weight of 257.13 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-bromo-3-pyridinyl)amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 130992232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).