1-[[(1S)-2,2-dichlorocyclopropyl]methyl]-5-nitro-2-oxopyridine-3-carbonitrile

C10H7Cl2N3O3 — CID 26263651

IUPAC1-[[(1S)-2,2-dichlorocyclopropyl]methyl]-5-nitro-2-oxopyridine-3-carbonitrile
SMILESN#Cc1cc([N+](=O)[O-])cn(C[C@@H]2CC2(Cl)Cl)c1=O
InChIInChI=1S/C10H7Cl2N3O3/c11-10(12)2-7(10)4-14-5-8(15(17)18)1-6(3-13)9(14)16/h1,5,7H,2,4H2/t7-/m0/s1
InChIKeyDVZQPRHFSFCMHH-ZETCQYMHSA-N
MW288.09 g/mol
LogP1.82
Rot. Bonds3

About 1-[[(1S)-2,2-dichlorocyclopropyl]methyl]-5-nitro-2-oxopyridine-3-carbonitrile

1-[[(1S)-2,2-dichlorocyclopropyl]methyl]-5-nitro-2-oxopyridine-3-carbonitrile (PubChem CID 26263651) has the molecular formula C10H7Cl2N3O3 and a molecular weight of 288.09 g/mol. Its IUPAC name is 1-[[(1S)-2,2-dichlorocyclopropyl]methyl]-5-nitro-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[[(1S)-2,2-dichlorocyclopropyl]methyl]-5-nitro-2-oxopyridine-3-carbonitrile
PubChem CID26263651
Molecular FormulaC10H7Cl2N3O3
Molecular Weight288.09 g/mol
Exact Mass286.99
IUPAC Name1-[[(1S)-2,2-dichlorocyclopropyl]methyl]-5-nitro-2-oxopyridine-3-carbonitrile
SMILESN#Cc1cc([N+](=O)[O-])cn(C[C@@H]2CC2(Cl)Cl)c1=O
InChIInChI=1S/C10H7Cl2N3O3/c11-10(12)2-7(10)4-14-5-8(15(17)18)1-6(3-13)9(14)16/h1,5,7H,2,4H2/t7-/m0/s1
InChIKeyDVZQPRHFSFCMHH-ZETCQYMHSA-N
XLogP1.82
TPSA88.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carbonitrile
CID 8632247
1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-nitro-2-oxopyridine-3-carbonitrile
CID 8632273
1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-5-nitro-2-oxopyridine-3-carbonitrile
CID 97227082
1-[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carbonitrile
CID 8632336
N-(2-chlorophenyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)acetamide
CID 8632179
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(2R)-pentan-2-yl]acetamide
CID 8632311
1-[(3-fluoro-4-methoxyphenyl)methyl]-5-nitro-2-oxopyridine-3-carbonitrile
CID 8632369
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 8632494
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 8632328
1-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]-5-nitro-2-oxopyridine-3-carbonitrile
CID 167909863
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 8632425
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55402922

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-2,2-dichlorocyclopropyl]methyl]-5-nitro-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[[(1S)-2,2-dichlorocyclopropyl]methyl]-5-nitro-2-oxopyridine-3-carbonitrile (CID 26263651) is 1-[[(1S)-2,2-dichlorocyclopropyl]methyl]-5-nitro-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[[(1S)-2,2-dichlorocyclopropyl]methyl]-5-nitro-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[[(1S)-2,2-dichlorocyclopropyl]methyl]-5-nitro-2-oxopyridine-3-carbonitrile is N#Cc1cc([N+](=O)[O-])cn(C[C@@H]2CC2(Cl)Cl)c1=O.
What is the InChIKey of 1-[[(1S)-2,2-dichlorocyclopropyl]methyl]-5-nitro-2-oxopyridine-3-carbonitrile?
The InChIKey is DVZQPRHFSFCMHH-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H7Cl2N3O3/c11-10(12)2-7(10)4-14-5-8(15(17)18)1-6(3-13)9(14)16/h1,5,7H,2,4H2/t7-/m0/s1.
What are the key properties of 1-[[(1S)-2,2-dichlorocyclopropyl]methyl]-5-nitro-2-oxopyridine-3-carbonitrile?
1-[[(1S)-2,2-dichlorocyclopropyl]methyl]-5-nitro-2-oxopyridine-3-carbonitrile has a molecular weight of 288.09 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-2,2-dichlorocyclopropyl]methyl]-5-nitro-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 26263651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).