5-(2-chloro-6-nitroanilino)pentan-1-ol

C11H15ClN2O3 — CID 107318138

IUPAC5-(2-chloro-6-nitroanilino)pentan-1-ol
SMILESO=[N+]([O-])c1cccc(Cl)c1NCCCCCO
InChIInChI=1S/C11H15ClN2O3/c12-9-5-4-6-10(14(16)17)11(9)13-7-2-1-3-8-15/h4-6,13,15H,1-3,7-8H2
InChIKeyPHJBFOGDDXXXKS-UHFFFAOYSA-N
MW258.70 g/mol
LogP2.82
Rot. Bonds7

About 5-(2-chloro-6-nitroanilino)pentan-1-ol

5-(2-chloro-6-nitroanilino)pentan-1-ol (PubChem CID 107318138) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is 5-(2-chloro-6-nitroanilino)pentan-1-ol.

Molecular Properties

Compound Name5-(2-chloro-6-nitroanilino)pentan-1-ol
PubChem CID107318138
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Name5-(2-chloro-6-nitroanilino)pentan-1-ol
SMILESO=[N+]([O-])c1cccc(Cl)c1NCCCCCO
InChIInChI=1S/C11H15ClN2O3/c12-9-5-4-6-10(14(16)17)11(9)13-7-2-1-3-8-15/h4-6,13,15H,1-3,7-8H2
InChIKeyPHJBFOGDDXXXKS-UHFFFAOYSA-N
XLogP2.82
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-nitro-N-octylaniline
CID 115569026
6-(2-chloro-6-nitroanilino)hexanoic acid
CID 17174843
N-(2-chloro-6-nitrophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62084069
2-(2-chloro-6-nitroanilino)ethylazanium
CID 7111827
2-chloro-N-(3-methoxypropyl)-6-nitroaniline
CID 62084770
N-(2-chloro-6-nitrophenyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 62085327
ethyl 4-(2-chloro-6-nitroanilino)butanoate
CID 64578751
2-chloro-N-(3-methylbutyl)-6-nitroaniline
CID 62086211
N-[3-(2-chloro-6-nitroanilino)propyl]-4-methylbenzamide
CID 3138172
5-(4,5-dichloro-2-nitroanilino)pentan-1-ol
CID 107318103
N-[2-(2-chloro-6-nitroanilino)ethyl]methanesulfonamide
CID 62085852
1-(2-chloro-6-nitroanilino)propan-2-ol
CID 62085143

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-nitroanilino)pentan-1-ol?
The IUPAC name of 5-(2-chloro-6-nitroanilino)pentan-1-ol (CID 107318138) is 5-(2-chloro-6-nitroanilino)pentan-1-ol.
What is the SMILES notation for 5-(2-chloro-6-nitroanilino)pentan-1-ol?
The canonical SMILES for 5-(2-chloro-6-nitroanilino)pentan-1-ol is O=[N+]([O-])c1cccc(Cl)c1NCCCCCO.
What is the InChIKey of 5-(2-chloro-6-nitroanilino)pentan-1-ol?
The InChIKey is PHJBFOGDDXXXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c12-9-5-4-6-10(14(16)17)11(9)13-7-2-1-3-8-15/h4-6,13,15H,1-3,7-8H2.
What are the key properties of 5-(2-chloro-6-nitroanilino)pentan-1-ol?
5-(2-chloro-6-nitroanilino)pentan-1-ol has a molecular weight of 258.70 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-nitroanilino)pentan-1-ol is sourced from PubChem (CID 107318138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).