(4-bromo-5-chloro-2-nitrophenyl)methanol

C7H5BrClNO3 — CID 131289970

IUPAC(4-bromo-5-chloro-2-nitrophenyl)methanol
SMILESO=[N+]([O-])c1cc(Br)c(Cl)cc1CO
InChIInChI=1S/C7H5BrClNO3/c8-5-2-7(10(12)13)4(3-11)1-6(5)9/h1-2,11H,3H2
InChIKeyLGHHAUDIHJYHFL-UHFFFAOYSA-N
MW266.48 g/mol
LogP2.50
Rot. Bonds2

About (4-bromo-5-chloro-2-nitrophenyl)methanol

(4-bromo-5-chloro-2-nitrophenyl)methanol (PubChem CID 131289970) has the molecular formula C7H5BrClNO3 and a molecular weight of 266.48 g/mol. Its IUPAC name is (4-bromo-5-chloro-2-nitrophenyl)methanol.

Molecular Properties

Compound Name(4-bromo-5-chloro-2-nitrophenyl)methanol
PubChem CID131289970
Molecular FormulaC7H5BrClNO3
Molecular Weight266.48 g/mol
Exact Mass264.91
IUPAC Name(4-bromo-5-chloro-2-nitrophenyl)methanol
SMILESO=[N+]([O-])c1cc(Br)c(Cl)cc1CO
InChIInChI=1S/C7H5BrClNO3/c8-5-2-7(10(12)13)4(3-11)1-6(5)9/h1-2,11H,3H2
InChIKeyLGHHAUDIHJYHFL-UHFFFAOYSA-N
XLogP2.50
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5-chloro-4-iodo-2-nitrophenyl)methanol
CID 171007120
[5-(hydroxymethyl)-2,4-dinitrophenyl]methanol
CID 3316930
(4-chloro-5-fluoro-2-nitrophenyl)methanol
CID 91619131
(2,4,5-trinitrophenyl)methanol
CID 53422846
1,5-dibromo-2-chloro-4-nitrobenzene
CID 154213219
1-bromo-2-chloro-4-iodo-5-nitrobenzene
CID 50999507
(2-bromo-5-methyl-4-nitrophenyl)methanol
CID 119024875
4-bromo-5-chloro-2-nitrobenzaldehyde
CID 15366549
2-(4,5-dichloro-2-nitrophenyl)acetate
CID 6994184
(3-nitronaphthalen-2-yl)methanol
CID 4076989
2-(4-bromo-5-fluoro-2-nitrophenyl)ethanol
CID 156503052
(2-bromo-4,5-dichlorophenyl)methanol
CID 68615356

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chloro-2-nitrophenyl)methanol?
The IUPAC name of (4-bromo-5-chloro-2-nitrophenyl)methanol (CID 131289970) is (4-bromo-5-chloro-2-nitrophenyl)methanol.
What is the SMILES notation for (4-bromo-5-chloro-2-nitrophenyl)methanol?
The canonical SMILES for (4-bromo-5-chloro-2-nitrophenyl)methanol is O=[N+]([O-])c1cc(Br)c(Cl)cc1CO.
What is the InChIKey of (4-bromo-5-chloro-2-nitrophenyl)methanol?
The InChIKey is LGHHAUDIHJYHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClNO3/c8-5-2-7(10(12)13)4(3-11)1-6(5)9/h1-2,11H,3H2.
What are the key properties of (4-bromo-5-chloro-2-nitrophenyl)methanol?
(4-bromo-5-chloro-2-nitrophenyl)methanol has a molecular weight of 266.48 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chloro-2-nitrophenyl)methanol is sourced from PubChem (CID 131289970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).