chloro 3-nitropyridine-2-carboxylate

C6H3ClN2O4 — CID 174298858

IUPACchloro 3-nitropyridine-2-carboxylate
SMILESO=C(OCl)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C6H3ClN2O4/c7-13-6(10)5-4(9(11)12)2-1-3-8-5/h1-3H
InChIKeyUCBMTHUZWPYPKU-UHFFFAOYSA-N
MW202.55 g/mol
LogP1.30
Rot. Bonds2

About chloro 3-nitropyridine-2-carboxylate

chloro 3-nitropyridine-2-carboxylate (PubChem CID 174298858) has the molecular formula C6H3ClN2O4 and a molecular weight of 202.55 g/mol. Its IUPAC name is chloro 3-nitropyridine-2-carboxylate.

Molecular Properties

Compound Namechloro 3-nitropyridine-2-carboxylate
PubChem CID174298858
Molecular FormulaC6H3ClN2O4
Molecular Weight202.55 g/mol
Exact Mass201.98
IUPAC Namechloro 3-nitropyridine-2-carboxylate
SMILESO=C(OCl)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C6H3ClN2O4/c7-13-6(10)5-4(9(11)12)2-1-3-8-5/h1-3H
InChIKeyUCBMTHUZWPYPKU-UHFFFAOYSA-N
XLogP1.30
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.55
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

benzyl 3-nitropyridine-2-carboxylate
CID 19034701
3-nitro-2-prop-1-en-2-ylpyridine
CID 170548751
1-(3-nitro-2-pyridinyl)-2-phenylethanone
CID 19034910
(8-nitroquinolin-5-yl) carbonochloridate
CID 116525781
CID 88627944
CID 88627944
1,1,1-trifluoro-3-(3-nitro-2-pyridinyl)propan-2-one
CID 117047413
2,3-dinitropyridine;hydrazine
CID 175406944
(3-nitro-2-pyridinyl) 2-hydroxybutanoate
CID 57203374
2-[(3-nitro-2-pyridinyl)amino]oxyacetic acid
CID 115572218
3-nitro-N-octanoylpyridine-2-carboxamide
CID 21405364
[amino-[(3-nitro-2-pyridinyl)sulfanyl]methylidene]azanium chloride
CID 134101557
3-nitro-2-nitrosopyridine
CID 140999580

Frequently Asked Questions

What is the IUPAC name of chloro 3-nitropyridine-2-carboxylate?
The IUPAC name of chloro 3-nitropyridine-2-carboxylate (CID 174298858) is chloro 3-nitropyridine-2-carboxylate.
What is the SMILES notation for chloro 3-nitropyridine-2-carboxylate?
The canonical SMILES for chloro 3-nitropyridine-2-carboxylate is O=C(OCl)c1ncccc1[N+](=O)[O-].
What is the InChIKey of chloro 3-nitropyridine-2-carboxylate?
The InChIKey is UCBMTHUZWPYPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2O4/c7-13-6(10)5-4(9(11)12)2-1-3-8-5/h1-3H.
What are the key properties of chloro 3-nitropyridine-2-carboxylate?
chloro 3-nitropyridine-2-carboxylate has a molecular weight of 202.55 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 3-nitropyridine-2-carboxylate is sourced from PubChem (CID 174298858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).