methyl 6-chloro-4H-pyridin-4-ide-3-carboxylate;rutherfordium

C7H5ClNO2Rf- — CID 59876413

IUPACmethyl 6-chloro-4H-pyridin-4-ide-3-carboxylate;rutherfordium
SMILESCOC(=O)c1[c-]cc(Cl)nc1.[Rf]
InChIInChI=1S/C7H5ClNO2.Rf/c1-11-7(10)5-2-3-6(8)9-4-5;/h3-4H,1H3;/q-1;
InChIKeyJOGQTVGXHXMSLR-UHFFFAOYSA-N
MW437.58 g/mol
LogP1.32
Rot. Bonds1

About methyl 6-chloro-4H-pyridin-4-ide-3-carboxylate;rutherfordium

methyl 6-chloro-4H-pyridin-4-ide-3-carboxylate;rutherfordium (PubChem CID 59876413) has the molecular formula C7H5ClNO2Rf- and a molecular weight of 437.58 g/mol. Its IUPAC name is methyl 6-chloro-4H-pyridin-4-ide-3-carboxylate;rutherfordium.

Molecular Properties

Compound Namemethyl 6-chloro-4H-pyridin-4-ide-3-carboxylate;rutherfordium
PubChem CID59876413
Molecular FormulaC7H5ClNO2Rf-
Molecular Weight437.58 g/mol
Exact Mass437.12
IUPAC Namemethyl 6-chloro-4H-pyridin-4-ide-3-carboxylate;rutherfordium
SMILESCOC(=O)c1[c-]cc(Cl)nc1.[Rf]
InChIInChI=1S/C7H5ClNO2.Rf/c1-11-7(10)5-2-3-6(8)9-4-5;/h3-4H,1H3;/q-1;
InChIKeyJOGQTVGXHXMSLR-UHFFFAOYSA-N
XLogP1.32
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-methyl-4H-pyridin-4-ide-3-carboxylate;rutherfordium
CID 59876406
chlorozinc(1+);methyl 2H-pyridin-2-ide-5-carboxylate
CID 156248083
methyl (E,2E)-4-chloro-2-[(methylideneamino)methylidene]pent-3-enoate
CID 156793944
methyl 2H-pyridin-2-ide-5-carboxylate;yttrium
CID 167711301
ethyl (E,2E)-2-[(1-chloroethylideneamino)methylidene]hex-3-enoate
CID 168972602
potassium methyl 2H-pyridin-2-ide-5-carboxylate
CID 174496363
bromozinc(1+);methyl 2H-pyridin-2-ide-5-carboxylate
CID 146002586
bromozinc(1+);methyl 6-chloro-3H-pyridin-3-ide-5-carboxylate
CID 146002591

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-4H-pyridin-4-ide-3-carboxylate;rutherfordium?
The IUPAC name of methyl 6-chloro-4H-pyridin-4-ide-3-carboxylate;rutherfordium (CID 59876413) is methyl 6-chloro-4H-pyridin-4-ide-3-carboxylate;rutherfordium.
What is the SMILES notation for methyl 6-chloro-4H-pyridin-4-ide-3-carboxylate;rutherfordium?
The canonical SMILES for methyl 6-chloro-4H-pyridin-4-ide-3-carboxylate;rutherfordium is COC(=O)c1[c-]cc(Cl)nc1.[Rf].
What is the InChIKey of methyl 6-chloro-4H-pyridin-4-ide-3-carboxylate;rutherfordium?
The InChIKey is JOGQTVGXHXMSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClNO2.Rf/c1-11-7(10)5-2-3-6(8)9-4-5;/h3-4H,1H3;/q-1;.
What are the key properties of methyl 6-chloro-4H-pyridin-4-ide-3-carboxylate;rutherfordium?
methyl 6-chloro-4H-pyridin-4-ide-3-carboxylate;rutherfordium has a molecular weight of 437.58 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-4H-pyridin-4-ide-3-carboxylate;rutherfordium is sourced from PubChem (CID 59876413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).