(3R)-1-(2,6-dichloro-4-nitrophenyl)pyrrolidin-3-ol

C10H10Cl2N2O3 — CID 103952620

IUPAC(3R)-1-(2,6-dichloro-4-nitrophenyl)pyrrolidin-3-ol
SMILESO=[N+]([O-])c1cc(Cl)c(N2CC[C@@H](O)C2)c(Cl)c1
InChIInChI=1S/C10H10Cl2N2O3/c11-8-3-6(14(16)17)4-9(12)10(8)13-2-1-7(15)5-13/h3-4,7,15H,1-2,5H2/t7-/m1/s1
InChIKeyGOCJATCBUNHROU-SSDOTTSWSA-N
MW277.11 g/mol
LogP2.47
Rot. Bonds2

About (3R)-1-(2,6-dichloro-4-nitrophenyl)pyrrolidin-3-ol

(3R)-1-(2,6-dichloro-4-nitrophenyl)pyrrolidin-3-ol (PubChem CID 103952620) has the molecular formula C10H10Cl2N2O3 and a molecular weight of 277.11 g/mol. Its IUPAC name is (3R)-1-(2,6-dichloro-4-nitrophenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(2,6-dichloro-4-nitrophenyl)pyrrolidin-3-ol
PubChem CID103952620
Molecular FormulaC10H10Cl2N2O3
Molecular Weight277.11 g/mol
Exact Mass276.01
IUPAC Name(3R)-1-(2,6-dichloro-4-nitrophenyl)pyrrolidin-3-ol
SMILESO=[N+]([O-])c1cc(Cl)c(N2CC[C@@H](O)C2)c(Cl)c1
InChIInChI=1S/C10H10Cl2N2O3/c11-8-3-6(14(16)17)4-9(12)10(8)13-2-1-7(15)5-13/h3-4,7,15H,1-2,5H2/t7-/m1/s1
InChIKeyGOCJATCBUNHROU-SSDOTTSWSA-N
XLogP2.47
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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

1-(2,6-difluoro-4-nitrophenyl)pyrrolidin-3-ol
CID 58296081
[1-(2,6-dichloro-4-nitrophenyl)piperidin-4-yl]methanol
CID 103952600
1-(2,6-dichloro-4-nitrophenyl)piperidine-3-carboxylic acid
CID 106891078
[1-(2,6-dichloro-4-nitrophenyl)-4-methylpiperidin-3-yl]methanamine
CID 106891894
1-(2,6-dichloro-4-nitrophenyl)-3-imidazol-1-yl-4-methylpiperidine
CID 133491389
N-[[1-(2,6-dichloro-4-nitrophenyl)pyrrolidin-3-yl]methyl]-N-ethylethanamine
CID 133484696
[4-(2,6-dichloro-4-nitrophenyl)morpholin-2-yl]methanol
CID 104917843
1-(3-nitrophenyl)pyrrolidin-3-ol
CID 62917312
(3R)-1-(3-morpholin-4-yl-5-nitrophenyl)pyrrolidin-3-ol
CID 69320000
(3S)-1-(5-chloro-2-methyl-4-nitrophenyl)pyrrolidin-3-ol
CID 104892860
3-chloro-2-(4-methylpiperidin-1-yl)-5-nitrobenzoic acid
CID 107189705
3-chloro-5-nitro-2-(3-propylpyrrolidin-1-yl)benzoic acid
CID 107191183

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,6-dichloro-4-nitrophenyl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(2,6-dichloro-4-nitrophenyl)pyrrolidin-3-ol (CID 103952620) is (3R)-1-(2,6-dichloro-4-nitrophenyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(2,6-dichloro-4-nitrophenyl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(2,6-dichloro-4-nitrophenyl)pyrrolidin-3-ol is O=[N+]([O-])c1cc(Cl)c(N2CC[C@@H](O)C2)c(Cl)c1.
What is the InChIKey of (3R)-1-(2,6-dichloro-4-nitrophenyl)pyrrolidin-3-ol?
The InChIKey is GOCJATCBUNHROU-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H10Cl2N2O3/c11-8-3-6(14(16)17)4-9(12)10(8)13-2-1-7(15)5-13/h3-4,7,15H,1-2,5H2/t7-/m1/s1.
What are the key properties of (3R)-1-(2,6-dichloro-4-nitrophenyl)pyrrolidin-3-ol?
(3R)-1-(2,6-dichloro-4-nitrophenyl)pyrrolidin-3-ol has a molecular weight of 277.11 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,6-dichloro-4-nitrophenyl)pyrrolidin-3-ol is sourced from PubChem (CID 103952620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).