(2-chloro-5-nitrophenyl)methanol

C7H6ClNO3 — CID 555722

IUPAC(2-chloro-5-nitrophenyl)methanol
SMILESO=[N+]([O-])c1ccc(Cl)c(CO)c1
InChIInChI=1S/C7H6ClNO3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-3,10H,4H2
InChIKeyNNLQYDLTFRXAKD-UHFFFAOYSA-N
MW187.58 g/mol
LogP1.74
Rot. Bonds2

About (2-chloro-5-nitrophenyl)methanol

(2-chloro-5-nitrophenyl)methanol (PubChem CID 555722) has the molecular formula C7H6ClNO3 and a molecular weight of 187.58 g/mol. Its IUPAC name is (2-chloro-5-nitrophenyl)methanol.

Molecular Properties

Compound Name(2-chloro-5-nitrophenyl)methanol
PubChem CID555722
Molecular FormulaC7H6ClNO3
Molecular Weight187.58 g/mol
Exact Mass187.00
IUPAC Name(2-chloro-5-nitrophenyl)methanol
SMILESO=[N+]([O-])c1ccc(Cl)c(CO)c1
InChIInChI=1S/C7H6ClNO3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-3,10H,4H2
InChIKeyNNLQYDLTFRXAKD-UHFFFAOYSA-N
XLogP1.74
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.58
LogP ≤ 51.74
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

3-Nitrobenzyl alcohol
CID 69267
4-Chloro-3-nitrobenzyl alcohol
CID 91933
2-Chloro-4-nitrobenzyl alcohol
CID 104147
5-Chloro-2-nitrobenzyl alcohol
CID 556066
4-Fluoro-3-nitrobenzyl alcohol
CID 4167587
(5-Amino-2-chlorophenyl)methanol
CID 13567962
(2-Fluoro-5-nitrophenyl)methanol
CID 4437169
3-Chloro-2-nitrobenzyl alcohol
CID 10012695
1-Chloro-2-(methoxymethyl)-4-nitrobenzene
CID 19912867
4-Chloro-2-nitrobenzyl alcohol
CID 89956
2-(2-Chloro-6-nitrophenyl)ethanol
CID 700810
(2,6-Dichloro-3-nitrophenyl)methanol
CID 2794914

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-nitrophenyl)methanol?
The IUPAC name of (2-chloro-5-nitrophenyl)methanol (CID 555722) is (2-chloro-5-nitrophenyl)methanol.
What is the SMILES notation for (2-chloro-5-nitrophenyl)methanol?
The canonical SMILES for (2-chloro-5-nitrophenyl)methanol is O=[N+]([O-])c1ccc(Cl)c(CO)c1.
What is the InChIKey of (2-chloro-5-nitrophenyl)methanol?
The InChIKey is NNLQYDLTFRXAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-3,10H,4H2.
What are the key properties of (2-chloro-5-nitrophenyl)methanol?
(2-chloro-5-nitrophenyl)methanol has a molecular weight of 187.58 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-nitrophenyl)methanol is sourced from PubChem (CID 555722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).