2-chloropyridine-3-carbonyl chloride;pyridine-3-carboxamide

C12H9Cl2N3O2 — CID 157126818

IUPAC2-chloropyridine-3-carbonyl chloride;pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1.O=C(Cl)c1cccnc1Cl
InChIInChI=1S/C6H3Cl2NO.C6H6N2O/c7-5-4(6(8)10)2-1-3-9-5;7-6(9)5-2-1-3-8-4-5/h1-3H;1-4H,(H2,7,9)
InChIKeyAIPGUDBNCUTDMG-UHFFFAOYSA-N
MW298.13 g/mol
LogP2.29
Rot. Bonds2

About 2-chloropyridine-3-carbonyl chloride;pyridine-3-carboxamide

2-chloropyridine-3-carbonyl chloride;pyridine-3-carboxamide (PubChem CID 157126818) has the molecular formula C12H9Cl2N3O2 and a molecular weight of 298.13 g/mol. Its IUPAC name is 2-chloropyridine-3-carbonyl chloride;pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloropyridine-3-carbonyl chloride;pyridine-3-carboxamide
PubChem CID157126818
Molecular FormulaC12H9Cl2N3O2
Molecular Weight298.13 g/mol
Exact Mass297.01
IUPAC Name2-chloropyridine-3-carbonyl chloride;pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1.O=C(Cl)c1cccnc1Cl
InChIInChI=1S/C6H3Cl2NO.C6H6N2O/c7-5-4(6(8)10)2-1-3-9-5;7-6(9)5-2-1-3-8-4-5/h1-3H;1-4H,(H2,7,9)
InChIKeyAIPGUDBNCUTDMG-UHFFFAOYSA-N
XLogP2.29
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloropyridine-3-carbonyl chloride;ethane
CID 91362446
benzene;pyridine-3-carboxamide
CID 66766032
methane;pyridine-3-carboxamide
CID 19390506
CID 175154223
CID 175154223
azane;platinum(4+);pyridine-3-carboxamide;dichloride
CID 71548674
oxalic acid;pyridine-3-carboxamide
CID 69110411
potassium;ethene;pyridine-3-carboxamide
CID 174767244
4-carbamoylbenzoic acid;pyridine-3-carboxamide
CID 70159642
butanedioic acid;pyridine-3-carboxamide
CID 159465776
platinum(2+);tetrakis(pyridine-3-carboxamide);dihexafluorophosphate;dihydrate
CID 139153914
4-aminobenzoic acid;pyridine-3-carboxamide
CID 23082444
pyridine-3-carboxamide;1,3-thiazole
CID 174906331

Frequently Asked Questions

What is the IUPAC name of 2-chloropyridine-3-carbonyl chloride;pyridine-3-carboxamide?
The IUPAC name of 2-chloropyridine-3-carbonyl chloride;pyridine-3-carboxamide (CID 157126818) is 2-chloropyridine-3-carbonyl chloride;pyridine-3-carboxamide.
What is the SMILES notation for 2-chloropyridine-3-carbonyl chloride;pyridine-3-carboxamide?
The canonical SMILES for 2-chloropyridine-3-carbonyl chloride;pyridine-3-carboxamide is NC(=O)c1cccnc1.O=C(Cl)c1cccnc1Cl.
What is the InChIKey of 2-chloropyridine-3-carbonyl chloride;pyridine-3-carboxamide?
The InChIKey is AIPGUDBNCUTDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2NO.C6H6N2O/c7-5-4(6(8)10)2-1-3-9-5;7-6(9)5-2-1-3-8-4-5/h1-3H;1-4H,(H2,7,9).
What are the key properties of 2-chloropyridine-3-carbonyl chloride;pyridine-3-carboxamide?
2-chloropyridine-3-carbonyl chloride;pyridine-3-carboxamide has a molecular weight of 298.13 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropyridine-3-carbonyl chloride;pyridine-3-carboxamide is sourced from PubChem (CID 157126818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).