[4-chloro-6-[(1,3-dioxoisoindol-2-yl)methyl]-2-pyridinyl] carbamate

C15H10ClN3O4 — CID 175184311

IUPAC[4-chloro-6-[(1,3-dioxoisoindol-2-yl)methyl]-2-pyridinyl] carbamate
SMILESNC(=O)Oc1cc(Cl)cc(CN2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C15H10ClN3O4/c16-8-5-9(18-12(6-8)23-15(17)22)7-19-13(20)10-3-1-2-4-11(10)14(19)21/h1-6H,7H2,(H2,17,22)
InChIKeyTXNUZVRQYCPTMQ-UHFFFAOYSA-N
MW331.72 g/mol
LogP1.99
Rot. Bonds3

About [4-chloro-6-[(1,3-dioxoisoindol-2-yl)methyl]-2-pyridinyl] carbamate

[4-chloro-6-[(1,3-dioxoisoindol-2-yl)methyl]-2-pyridinyl] carbamate (PubChem CID 175184311) has the molecular formula C15H10ClN3O4 and a molecular weight of 331.72 g/mol. Its IUPAC name is [4-chloro-6-[(1,3-dioxoisoindol-2-yl)methyl]-2-pyridinyl] carbamate.

Molecular Properties

Compound Name[4-chloro-6-[(1,3-dioxoisoindol-2-yl)methyl]-2-pyridinyl] carbamate
PubChem CID175184311
Molecular FormulaC15H10ClN3O4
Molecular Weight331.72 g/mol
Exact Mass331.04
IUPAC Name[4-chloro-6-[(1,3-dioxoisoindol-2-yl)methyl]-2-pyridinyl] carbamate
SMILESNC(=O)Oc1cc(Cl)cc(CN2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C15H10ClN3O4/c16-8-5-9(18-12(6-8)23-15(17)22)7-19-13(20)10-3-1-2-4-11(10)14(19)21/h1-6H,7H2,(H2,17,22)
InChIKeyTXNUZVRQYCPTMQ-UHFFFAOYSA-N
XLogP1.99
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.72
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3,4-dichloro-6-[(1,3-dioxoisoindol-2-yl)methyl]pyridine-2-carboxylate
CID 122609413
ethyl 4-chloro-6-[(1,3-dioxoisoindol-2-yl)methyl]-3-fluoropyridine-2-carboxylate
CID 122609536
[5-[(4-chlorophenyl)carbamoylamino]-2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-imidazol-4-yl] carbamate
CID 122437565
(1,3-dioxoisoindol-2-yl)methyl 3,5-dichlorobenzoate
CID 4215357
(4-chloro-2,6-dimethylphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 8914024
2-[[3-bromo-5-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]methyl]isoindole-1,3-dione
CID 15417918
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione
CID 131122854
2-[(5-chloropyrazin-2-yl)methyl]isoindole-1,3-dione
CID 103054453
ethyl 6-[(1,3-dioxoisoindol-2-yl)methyl]-4-(4-methoxyphenyl)pyridine-2-carboxylate
CID 178053172
2-(pyridazin-3-ylmethyl)isoindole-1,3-dione
CID 66630616
2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenoxy]acetamide
CID 71935665
2-[(1,3-dioxoisoindol-2-yl)methyl]pyridine-4-carboxylic acid
CID 114324415

Frequently Asked Questions

What is the IUPAC name of [4-chloro-6-[(1,3-dioxoisoindol-2-yl)methyl]-2-pyridinyl] carbamate?
The IUPAC name of [4-chloro-6-[(1,3-dioxoisoindol-2-yl)methyl]-2-pyridinyl] carbamate (CID 175184311) is [4-chloro-6-[(1,3-dioxoisoindol-2-yl)methyl]-2-pyridinyl] carbamate.
What is the SMILES notation for [4-chloro-6-[(1,3-dioxoisoindol-2-yl)methyl]-2-pyridinyl] carbamate?
The canonical SMILES for [4-chloro-6-[(1,3-dioxoisoindol-2-yl)methyl]-2-pyridinyl] carbamate is NC(=O)Oc1cc(Cl)cc(CN2C(=O)c3ccccc3C2=O)n1.
What is the InChIKey of [4-chloro-6-[(1,3-dioxoisoindol-2-yl)methyl]-2-pyridinyl] carbamate?
The InChIKey is TXNUZVRQYCPTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O4/c16-8-5-9(18-12(6-8)23-15(17)22)7-19-13(20)10-3-1-2-4-11(10)14(19)21/h1-6H,7H2,(H2,17,22).
What are the key properties of [4-chloro-6-[(1,3-dioxoisoindol-2-yl)methyl]-2-pyridinyl] carbamate?
[4-chloro-6-[(1,3-dioxoisoindol-2-yl)methyl]-2-pyridinyl] carbamate has a molecular weight of 331.72 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-6-[(1,3-dioxoisoindol-2-yl)methyl]-2-pyridinyl] carbamate is sourced from PubChem (CID 175184311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).