(3,4-dichloro-2-pyridinyl) formate

C6H3Cl2NO2 — CID 164738459

IUPAC(3,4-dichloro-2-pyridinyl) formate
SMILESO=COc1nccc(Cl)c1Cl
InChIInChI=1S/C6H3Cl2NO2/c7-4-1-2-9-6(5(4)8)11-3-10/h1-3H
InChIKeyNUMDUGMLXKXQFQ-UHFFFAOYSA-N
MW192.00 g/mol
LogP1.92
Rot. Bonds2

About (3,4-dichloro-2-pyridinyl) formate

(3,4-dichloro-2-pyridinyl) formate (PubChem CID 164738459) has the molecular formula C6H3Cl2NO2 and a molecular weight of 192.00 g/mol. Its IUPAC name is (3,4-dichloro-2-pyridinyl) formate.

Molecular Properties

Compound Name(3,4-dichloro-2-pyridinyl) formate
PubChem CID164738459
Molecular FormulaC6H3Cl2NO2
Molecular Weight192.00 g/mol
Exact Mass190.95
IUPAC Name(3,4-dichloro-2-pyridinyl) formate
SMILESO=COc1nccc(Cl)c1Cl
InChIInChI=1S/C6H3Cl2NO2/c7-4-1-2-9-6(5(4)8)11-3-10/h1-3H
InChIKeyNUMDUGMLXKXQFQ-UHFFFAOYSA-N
XLogP1.92
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.00
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-2-methoxypyridine
CID 57485134
3,4-dichloro-2-(fluoromethoxy)pyridine
CID 67376362
3,4-dichloro-2-phenoxypyridine
CID 154391527
3,4-dichloro-2-phenoxypyridine;gold(3+)
CID 175701779
4-chloro-2-(difluoromethoxy)pyridine-3-carbaldehyde
CID 118839602
(2-amino-4-chloro-3-pyridinyl) formate;(4-chloro-2-methyl-3-pyridinyl) formate;methane
CID 167665157
[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] formate
CID 87870610
N-[(3,4-dichloro-2-pyridinyl)methyl]formamide
CID 139487439
2-[(3,4-dichloro-2-pyridinyl)oxy]-2-phenoxypropanoic acid
CID 20542489
4-(4-amino-2-fluorophenoxy)-3-chloropyridin-2-amine;3-chloro-4-(2-fluoro-4-nitrophenoxy)pyridin-2-amine;3,4-dichloro-2-methylpyridine;3,4-dichloropyridine;(3,4-dichloro-2-pyridinyl) formate;2-fluoro-4-nitrophenol;methane
CID 165009069
4-chloro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 118817072
(7-formyloxy-1,10-phenanthrolin-4-yl) formate
CID 58250254

Frequently Asked Questions

What is the IUPAC name of (3,4-dichloro-2-pyridinyl) formate?
The IUPAC name of (3,4-dichloro-2-pyridinyl) formate (CID 164738459) is (3,4-dichloro-2-pyridinyl) formate.
What is the SMILES notation for (3,4-dichloro-2-pyridinyl) formate?
The canonical SMILES for (3,4-dichloro-2-pyridinyl) formate is O=COc1nccc(Cl)c1Cl.
What is the InChIKey of (3,4-dichloro-2-pyridinyl) formate?
The InChIKey is NUMDUGMLXKXQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2NO2/c7-4-1-2-9-6(5(4)8)11-3-10/h1-3H.
What are the key properties of (3,4-dichloro-2-pyridinyl) formate?
(3,4-dichloro-2-pyridinyl) formate has a molecular weight of 192.00 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichloro-2-pyridinyl) formate is sourced from PubChem (CID 164738459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).