[1-(5-bromo-2-pyridinyl)cyclobutyl]carbamic acid

C10H11BrN2O2 — CID 138544182

IUPAC[1-(5-bromo-2-pyridinyl)cyclobutyl]carbamic acid
SMILESO=C(O)NC1(c2ccc(Br)cn2)CCC1
InChIInChI=1S/C10H11BrN2O2/c11-7-2-3-8(12-6-7)10(4-1-5-10)13-9(14)15/h2-3,6,13H,1,4-5H2,(H,14,15)
InChIKeyKFJHIJVZRQHHCH-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.49
Rot. Bonds2

About [1-(5-bromo-2-pyridinyl)cyclobutyl]carbamic acid

[1-(5-bromo-2-pyridinyl)cyclobutyl]carbamic acid (PubChem CID 138544182) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is [1-(5-bromo-2-pyridinyl)cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[1-(5-bromo-2-pyridinyl)cyclobutyl]carbamic acid
PubChem CID138544182
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name[1-(5-bromo-2-pyridinyl)cyclobutyl]carbamic acid
SMILESO=C(O)NC1(c2ccc(Br)cn2)CCC1
InChIInChI=1S/C10H11BrN2O2/c11-7-2-3-8(12-6-7)10(4-1-5-10)13-9(14)15/h2-3,6,13H,1,4-5H2,(H,14,15)
InChIKeyKFJHIJVZRQHHCH-UHFFFAOYSA-N
XLogP2.49
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-bromo-2-pyridinyl)cyclobutyl]-3-cyanobicyclo[1.1.1]pentane-1-carboxamide
CID 158526402
1-(5-bromo-2-pyridinyl)cyclobutane-1-carboxylic acid
CID 67973232
[1-[5-[4-(1-hydroxycyclopropyl)phenyl]-2-pyridinyl]cyclopropyl]carbamic acid
CID 141281868
[1-[4-[2-(5-bromo-2-methoxy-3-pyridinyl)ethynyl]phenyl]cyclobutyl]carbamic acid
CID 67206200
1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;dihydrochloride
CID 71742170
N-[1-(5-amino-2-pyridinyl)cyclobutyl]-6-chloropyridine-3-carboxamide;hydrochloride
CID 138544122
4-[(5-bromopyridine-2-carbonyl)amino]oxane-4-carboxylic acid
CID 115291548
3-(5-bromo-2-pyridinyl)-1,1-dioxothietan-3-ol
CID 86713186
[1-(1,3-oxazol-4-yl)cyclopropyl]carbamic acid
CID 152685902
[3-(4-bromophenyl)oxolan-3-yl]carbamic acid
CID 130407616
5-bromopyridine-2-carboxylic acid;hydrazine
CID 161359916
1-[(5-bromo-2-pyridinyl)methyl]cycloheptane-1-carboxylic acid
CID 113456057

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2-pyridinyl)cyclobutyl]carbamic acid?
The IUPAC name of [1-(5-bromo-2-pyridinyl)cyclobutyl]carbamic acid (CID 138544182) is [1-(5-bromo-2-pyridinyl)cyclobutyl]carbamic acid.
What is the SMILES notation for [1-(5-bromo-2-pyridinyl)cyclobutyl]carbamic acid?
The canonical SMILES for [1-(5-bromo-2-pyridinyl)cyclobutyl]carbamic acid is O=C(O)NC1(c2ccc(Br)cn2)CCC1.
What is the InChIKey of [1-(5-bromo-2-pyridinyl)cyclobutyl]carbamic acid?
The InChIKey is KFJHIJVZRQHHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c11-7-2-3-8(12-6-7)10(4-1-5-10)13-9(14)15/h2-3,6,13H,1,4-5H2,(H,14,15).
What are the key properties of [1-(5-bromo-2-pyridinyl)cyclobutyl]carbamic acid?
[1-(5-bromo-2-pyridinyl)cyclobutyl]carbamic acid has a molecular weight of 271.11 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2-pyridinyl)cyclobutyl]carbamic acid is sourced from PubChem (CID 138544182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).