carbonic acid;2,5-dichloropyridine

C6H5Cl2NO3 — CID 159285207

IUPACcarbonic acid;2,5-dichloropyridine
SMILESClc1ccc(Cl)nc1.O=C(O)O
InChIInChI=1S/C5H3Cl2N.CH2O3/c6-4-1-2-5(7)8-3-4;2-1(3)4/h1-3H;(H2,2,3,4)
InChIKeyKZKQWQAGQQTWFM-UHFFFAOYSA-N
MW210.02 g/mol
LogP2.61
Rot. Bonds

About carbonic acid;2,5-dichloropyridine

carbonic acid;2,5-dichloropyridine (PubChem CID 159285207) has the molecular formula C6H5Cl2NO3 and a molecular weight of 210.02 g/mol. Its IUPAC name is carbonic acid;2,5-dichloropyridine.

Molecular Properties

Compound Namecarbonic acid;2,5-dichloropyridine
PubChem CID159285207
Molecular FormulaC6H5Cl2NO3
Molecular Weight210.02 g/mol
Exact Mass208.96
IUPAC Namecarbonic acid;2,5-dichloropyridine
SMILESClc1ccc(Cl)nc1.O=C(O)O
InChIInChI=1S/C5H3Cl2N.CH2O3/c6-4-1-2-5(7)8-3-4;2-1(3)4/h1-3H;(H2,2,3,4)
InChIKeyKZKQWQAGQQTWFM-UHFFFAOYSA-N
XLogP2.61
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.02
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloropyridine;2,5-dichloropyridine-4-carboxylic acid
CID 159095928
2,5-dichloropyridine;N-ethylhydroxylamine
CID 174948655
3-(6-chloro-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823447
6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;hydrochloride
CID 158925044
6-chloropyridine-3-carboxylate
CID 6933309
2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride
CID 152602540
3-(6-chloro-3-pyridinyl)-3-oxopropanoic acid
CID 55267358
6-chloropyridine-3-carboxamide;dihydrochloride
CID 87764201
[amino-(4-chlorophenyl)methylidene]-(6-chloropyridine-3-carbonyl)azanium
CID 6933633
6-chloro-N-(4-chlorophenyl)-N-methylpyridine-3-carboxamide
CID 18419490
4-(5-chloro-2-pyridinyl)but-3-enoic acid
CID 170483056
2-amino-1-(4-chlorophenyl)-2-(6-chloro-3-pyridinyl)propan-1-one
CID 58542413

Frequently Asked Questions

What is the IUPAC name of carbonic acid;2,5-dichloropyridine?
The IUPAC name of carbonic acid;2,5-dichloropyridine (CID 159285207) is carbonic acid;2,5-dichloropyridine.
What is the SMILES notation for carbonic acid;2,5-dichloropyridine?
The canonical SMILES for carbonic acid;2,5-dichloropyridine is Clc1ccc(Cl)nc1.O=C(O)O.
What is the InChIKey of carbonic acid;2,5-dichloropyridine?
The InChIKey is KZKQWQAGQQTWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2N.CH2O3/c6-4-1-2-5(7)8-3-4;2-1(3)4/h1-3H;(H2,2,3,4).
What are the key properties of carbonic acid;2,5-dichloropyridine?
carbonic acid;2,5-dichloropyridine has a molecular weight of 210.02 g/mol, XLogP of 2.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2,5-dichloropyridine is sourced from PubChem (CID 159285207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).