[5-bromo-2-(hydroxymethyl)phenyl]carbamic acid

C8H8BrNO3 — CID 146422384

IUPAC[5-bromo-2-(hydroxymethyl)phenyl]carbamic acid
SMILESO=C(O)Nc1cc(Br)ccc1CO
InChIInChI=1S/C8H8BrNO3/c9-6-2-1-5(4-11)7(3-6)10-8(12)13/h1-3,10-11H,4H2,(H,12,13)
InChIKeySPMNZVZNSRQNTK-UHFFFAOYSA-N
MW246.06 g/mol
LogP2.03
Rot. Bonds2

About [5-bromo-2-(hydroxymethyl)phenyl]carbamic acid

[5-bromo-2-(hydroxymethyl)phenyl]carbamic acid (PubChem CID 146422384) has the molecular formula C8H8BrNO3 and a molecular weight of 246.06 g/mol. Its IUPAC name is [5-bromo-2-(hydroxymethyl)phenyl]carbamic acid.

Molecular Properties

Compound Name[5-bromo-2-(hydroxymethyl)phenyl]carbamic acid
PubChem CID146422384
Molecular FormulaC8H8BrNO3
Molecular Weight246.06 g/mol
Exact Mass244.97
IUPAC Name[5-bromo-2-(hydroxymethyl)phenyl]carbamic acid
SMILESO=C(O)Nc1cc(Br)ccc1CO
InChIInChI=1S/C8H8BrNO3/c9-6-2-1-5(4-11)7(3-6)10-8(12)13/h1-3,10-11H,4H2,(H,12,13)
InChIKeySPMNZVZNSRQNTK-UHFFFAOYSA-N
XLogP2.03
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-bromo-2-(hydroxymethyl)phenyl]-3-(2-fluoro-4-pyridinyl)urea
CID 156854469
1-[5-bromo-2-(hydroxymethyl)phenyl]-3-[3-(trifluoromethylsulfanyl)phenyl]urea
CID 166747597
3-acetamido-4-(hydroxymethyl)benzoic acid
CID 167726938
1-[5-bromo-2-(hydroxymethyl)phenyl]-3-[3-(2-hydroxyethylamino)-5-(trifluoromethoxy)phenyl]urea
CID 156854563
dimethyl (E)-2-(5-bromo-2-ethylanilino)but-2-enedioate
CID 168568635
2-(4-bromo-2-fluorophenyl)acetyl iodide
CID 90435604
[2-[(4-acetamidobenzoyl)amino]-4-bromophenyl]carbamic acid
CID 67418412
N-(5-bromo-2-phenylphenyl)acetamide
CID 139240765
4-(5-bromo-2-hydroxyanilino)-4-oxobutanoic acid
CID 23822639
2-[4-bromo-2-(hydroxymethyl)phenoxy]acetic acid
CID 894151
methyl N-[5-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate
CID 129039275
5-bromo-2-(carboxymethyl)benzoic acid
CID 10634987

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(hydroxymethyl)phenyl]carbamic acid?
The IUPAC name of [5-bromo-2-(hydroxymethyl)phenyl]carbamic acid (CID 146422384) is [5-bromo-2-(hydroxymethyl)phenyl]carbamic acid.
What is the SMILES notation for [5-bromo-2-(hydroxymethyl)phenyl]carbamic acid?
The canonical SMILES for [5-bromo-2-(hydroxymethyl)phenyl]carbamic acid is O=C(O)Nc1cc(Br)ccc1CO.
What is the InChIKey of [5-bromo-2-(hydroxymethyl)phenyl]carbamic acid?
The InChIKey is SPMNZVZNSRQNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO3/c9-6-2-1-5(4-11)7(3-6)10-8(12)13/h1-3,10-11H,4H2,(H,12,13).
What are the key properties of [5-bromo-2-(hydroxymethyl)phenyl]carbamic acid?
[5-bromo-2-(hydroxymethyl)phenyl]carbamic acid has a molecular weight of 246.06 g/mol, XLogP of 2.03, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(hydroxymethyl)phenyl]carbamic acid is sourced from PubChem (CID 146422384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).