methyl 3-[(3-chloro-5-nitro-2-pyridinyl)amino]azetidine-1-carboxylate

C10H11ClN4O4 — CID 133385700

IUPACmethyl 3-[(3-chloro-5-nitro-2-pyridinyl)amino]azetidine-1-carboxylate
SMILESCOC(=O)N1CC(Nc2ncc([N+](=O)[O-])cc2Cl)C1
InChIInChI=1S/C10H11ClN4O4/c1-19-10(16)14-4-6(5-14)13-9-8(11)2-7(3-12-9)15(17)18/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyYUTVXPMUSHTOIZ-UHFFFAOYSA-N
MW286.68 g/mol
LogP1.51
Rot. Bonds3

About methyl 3-[(3-chloro-5-nitro-2-pyridinyl)amino]azetidine-1-carboxylate

methyl 3-[(3-chloro-5-nitro-2-pyridinyl)amino]azetidine-1-carboxylate (PubChem CID 133385700) has the molecular formula C10H11ClN4O4 and a molecular weight of 286.68 g/mol. Its IUPAC name is methyl 3-[(3-chloro-5-nitro-2-pyridinyl)amino]azetidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-chloro-5-nitro-2-pyridinyl)amino]azetidine-1-carboxylate
PubChem CID133385700
Molecular FormulaC10H11ClN4O4
Molecular Weight286.68 g/mol
Exact Mass286.05
IUPAC Namemethyl 3-[(3-chloro-5-nitro-2-pyridinyl)amino]azetidine-1-carboxylate
SMILESCOC(=O)N1CC(Nc2ncc([N+](=O)[O-])cc2Cl)C1
InChIInChI=1S/C10H11ClN4O4/c1-19-10(16)14-4-6(5-14)13-9-8(11)2-7(3-12-9)15(17)18/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyYUTVXPMUSHTOIZ-UHFFFAOYSA-N
XLogP1.51
TPSA97.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.68
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

methyl 3-[(3-chloro-5-cyano-2-pyridinyl)amino]azetidine-1-carboxylate
CID 133385695
3-chloro-N-[1-(3-methoxyphenyl)piperidin-3-yl]-5-nitropyridin-2-amine
CID 133304684
3-chloro-N-(1,1-dioxothian-3-yl)-5-nitropyridin-2-amine
CID 75374172
methyl 3-(2-cyano-4-nitroanilino)azetidine-1-carboxylate
CID 133385681
3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-nitropyridin-2-amine
CID 133336336
tert-butyl 3-[(2-chloro-5-nitropyrimidin-4-yl)amino]azetidine-1-carboxylate
CID 90358991
3-chloro-N-(1-methylcyclobutyl)-5-nitropyridin-2-amine
CID 103847594
3-chloro-5-nitro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine
CID 133377795
methyl 2-(3-chloro-5-nitro-2-pyridinyl)acetate
CID 118878120
3-chloro-5-nitro-N-(1-oxaspiro[5.5]undecan-4-yl)pyridin-2-amine
CID 133378045
1-[(3-chloro-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 114046425
(2S)-2-[(3-chloro-5-nitro-2-pyridinyl)amino]-3-methylbutanoic acid
CID 120964337

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-chloro-5-nitro-2-pyridinyl)amino]azetidine-1-carboxylate?
The IUPAC name of methyl 3-[(3-chloro-5-nitro-2-pyridinyl)amino]azetidine-1-carboxylate (CID 133385700) is methyl 3-[(3-chloro-5-nitro-2-pyridinyl)amino]azetidine-1-carboxylate.
What is the SMILES notation for methyl 3-[(3-chloro-5-nitro-2-pyridinyl)amino]azetidine-1-carboxylate?
The canonical SMILES for methyl 3-[(3-chloro-5-nitro-2-pyridinyl)amino]azetidine-1-carboxylate is COC(=O)N1CC(Nc2ncc([N+](=O)[O-])cc2Cl)C1.
What is the InChIKey of methyl 3-[(3-chloro-5-nitro-2-pyridinyl)amino]azetidine-1-carboxylate?
The InChIKey is YUTVXPMUSHTOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O4/c1-19-10(16)14-4-6(5-14)13-9-8(11)2-7(3-12-9)15(17)18/h2-3,6H,4-5H2,1H3,(H,12,13).
What are the key properties of methyl 3-[(3-chloro-5-nitro-2-pyridinyl)amino]azetidine-1-carboxylate?
methyl 3-[(3-chloro-5-nitro-2-pyridinyl)amino]azetidine-1-carboxylate has a molecular weight of 286.68 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-chloro-5-nitro-2-pyridinyl)amino]azetidine-1-carboxylate is sourced from PubChem (CID 133385700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).