1-(2-chloro-6-nitroanilino)propan-2-ol

C9H11ClN2O3 — CID 62085143

IUPAC1-(2-chloro-6-nitroanilino)propan-2-ol
SMILESCC(O)CNc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C9H11ClN2O3/c1-6(13)5-11-9-7(10)3-2-4-8(9)12(14)15/h2-4,6,11,13H,5H2,1H3
InChIKeyWOPMVWYTVXXXHC-UHFFFAOYSA-N
MW230.65 g/mol
LogP2.04
Rot. Bonds4

About 1-(2-chloro-6-nitroanilino)propan-2-ol

1-(2-chloro-6-nitroanilino)propan-2-ol (PubChem CID 62085143) has the molecular formula C9H11ClN2O3 and a molecular weight of 230.65 g/mol. Its IUPAC name is 1-(2-chloro-6-nitroanilino)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-6-nitroanilino)propan-2-ol
PubChem CID62085143
Molecular FormulaC9H11ClN2O3
Molecular Weight230.65 g/mol
Exact Mass230.05
IUPAC Name1-(2-chloro-6-nitroanilino)propan-2-ol
SMILESCC(O)CNc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C9H11ClN2O3/c1-6(13)5-11-9-7(10)3-2-4-8(9)12(14)15/h2-4,6,11,13H,5H2,1H3
InChIKeyWOPMVWYTVXXXHC-UHFFFAOYSA-N
XLogP2.04
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-(2-chloro-6-nitroanilino)-4,4-dimethylpentan-2-ol
CID 107153138
2-chloro-N-(3-methylbutyl)-6-nitroaniline
CID 62086211
2-chloro-6-nitro-N-(2-prop-2-enoxypropyl)aniline
CID 114264812
2-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)-6-nitroaniline
CID 63541950
1-(3-chloro-2-nitroanilino)propan-2-ol
CID 104835712
4-(2-chloro-6-nitroanilino)-1-methoxybutan-2-ol
CID 106245890
1-(2-methyl-3-nitroanilino)propan-2-ol
CID 63076222
N-(2-chloro-6-nitrophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62084069
2-(2-chloro-6-nitroanilino)ethylazanium
CID 7111827
1-N-(2-chloro-6-nitrophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 55032974
5-(2-chloro-6-nitroanilino)pentan-1-ol
CID 107318138
2-chloro-6-nitro-N-octylaniline
CID 115569026

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-nitroanilino)propan-2-ol?
The IUPAC name of 1-(2-chloro-6-nitroanilino)propan-2-ol (CID 62085143) is 1-(2-chloro-6-nitroanilino)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-6-nitroanilino)propan-2-ol?
The canonical SMILES for 1-(2-chloro-6-nitroanilino)propan-2-ol is CC(O)CNc1c(Cl)cccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-chloro-6-nitroanilino)propan-2-ol?
The InChIKey is WOPMVWYTVXXXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3/c1-6(13)5-11-9-7(10)3-2-4-8(9)12(14)15/h2-4,6,11,13H,5H2,1H3.
What are the key properties of 1-(2-chloro-6-nitroanilino)propan-2-ol?
1-(2-chloro-6-nitroanilino)propan-2-ol has a molecular weight of 230.65 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-nitroanilino)propan-2-ol is sourced from PubChem (CID 62085143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).