methyl 4,6-bis(2-chloro-3-pyridinyl)-2-methylpyridine-3-carboxylate

C18H13Cl2N3O2 — CID 10571417

IUPACmethyl 4,6-bis(2-chloro-3-pyridinyl)-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2cccnc2Cl)cc(-c2cccnc2Cl)nc1C
InChIInChI=1S/C18H13Cl2N3O2/c1-10-15(18(24)25-2)13(11-5-3-7-21-16(11)19)9-14(23-10)12-6-4-8-22-17(12)20/h3-9H,1-2H3
InChIKeyWMOQRMNLRCRPFV-UHFFFAOYSA-N
MW374.23 g/mol
LogP4.61
Rot. Bonds3

About methyl 4,6-bis(2-chloro-3-pyridinyl)-2-methylpyridine-3-carboxylate

methyl 4,6-bis(2-chloro-3-pyridinyl)-2-methylpyridine-3-carboxylate (PubChem CID 10571417) has the molecular formula C18H13Cl2N3O2 and a molecular weight of 374.23 g/mol. Its IUPAC name is methyl 4,6-bis(2-chloro-3-pyridinyl)-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4,6-bis(2-chloro-3-pyridinyl)-2-methylpyridine-3-carboxylate
PubChem CID10571417
Molecular FormulaC18H13Cl2N3O2
Molecular Weight374.23 g/mol
Exact Mass373.04
IUPAC Namemethyl 4,6-bis(2-chloro-3-pyridinyl)-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2cccnc2Cl)cc(-c2cccnc2Cl)nc1C
InChIInChI=1S/C18H13Cl2N3O2/c1-10-15(18(24)25-2)13(11-5-3-7-21-16(11)19)9-14(23-10)12-6-4-8-22-17(12)20/h3-9H,1-2H3
InChIKeyWMOQRMNLRCRPFV-UHFFFAOYSA-N
XLogP4.61
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-methyl-4,6-bis(2-nitro-3-pyridinyl)pyridine-3-carboxylate
CID 10524721
methyl 3-(2-chloro-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 57425435
cyclohexane;methyl 2-chloropyridine-3-carboxylate
CID 175229380
6-(2-chloro-3-pyridinyl)-2-methylpyridin-3-amine
CID 112547307
(3-methoxycarbonylnaphthalen-2-yl) 2-chloropyridine-3-carboxylate
CID 52896231
methyl 2-chloro-4-(methylamino)pyridine-3-carboxylate
CID 87532805
methyl 3-(6-carbamoyl-4-chloro-2-pyridinyl)pyridine-2-carboxylate
CID 71245215
methyl 2-chloro-3-(2-chloro-3-pyridinyl)-5,6-dihydroindolizine-1-carboxylate
CID 22012091
methyl 2-methylpyridine-3-carboxylate
CID 7015327
methyl 4,6-dichloro-2,5-dimethylpyridine-3-carboxylate
CID 20703477
methyl 4-chloro-2,6-dimethylpyrimidine-5-carboxylate
CID 115022124
methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 50903563

Frequently Asked Questions

What is the IUPAC name of methyl 4,6-bis(2-chloro-3-pyridinyl)-2-methylpyridine-3-carboxylate?
The IUPAC name of methyl 4,6-bis(2-chloro-3-pyridinyl)-2-methylpyridine-3-carboxylate (CID 10571417) is methyl 4,6-bis(2-chloro-3-pyridinyl)-2-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 4,6-bis(2-chloro-3-pyridinyl)-2-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 4,6-bis(2-chloro-3-pyridinyl)-2-methylpyridine-3-carboxylate is COC(=O)c1c(-c2cccnc2Cl)cc(-c2cccnc2Cl)nc1C.
What is the InChIKey of methyl 4,6-bis(2-chloro-3-pyridinyl)-2-methylpyridine-3-carboxylate?
The InChIKey is WMOQRMNLRCRPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O2/c1-10-15(18(24)25-2)13(11-5-3-7-21-16(11)19)9-14(23-10)12-6-4-8-22-17(12)20/h3-9H,1-2H3.
What are the key properties of methyl 4,6-bis(2-chloro-3-pyridinyl)-2-methylpyridine-3-carboxylate?
methyl 4,6-bis(2-chloro-3-pyridinyl)-2-methylpyridine-3-carboxylate has a molecular weight of 374.23 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,6-bis(2-chloro-3-pyridinyl)-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 10571417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).