(2,6-dichloro-4-pyridinyl)methyl 2-[(1S,2S)-2-aminocyclopropyl]acetate

C11H12Cl2N2O2 — CID 176881809

IUPAC(2,6-dichloro-4-pyridinyl)methyl 2-[(1S,2S)-2-aminocyclopropyl]acetate
SMILESN[C@H]1C[C@H]1CC(=O)OCc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H12Cl2N2O2/c12-9-1-6(2-10(13)15-9)5-17-11(16)4-7-3-8(7)14/h1-2,7-8H,3-5,14H2/t7-,8-/m0/s1
InChIKeyBRZSGSKFPCAZHN-YUMQZZPRSA-N
MW275.13 g/mol
LogP2.17
Rot. Bonds4

About (2,6-dichloro-4-pyridinyl)methyl 2-[(1S,2S)-2-aminocyclopropyl]acetate

(2,6-dichloro-4-pyridinyl)methyl 2-[(1S,2S)-2-aminocyclopropyl]acetate (PubChem CID 176881809) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.13 g/mol. Its IUPAC name is (2,6-dichloro-4-pyridinyl)methyl 2-[(1S,2S)-2-aminocyclopropyl]acetate.

Molecular Properties

Compound Name(2,6-dichloro-4-pyridinyl)methyl 2-[(1S,2S)-2-aminocyclopropyl]acetate
PubChem CID176881809
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.13 g/mol
Exact Mass274.03
IUPAC Name(2,6-dichloro-4-pyridinyl)methyl 2-[(1S,2S)-2-aminocyclopropyl]acetate
SMILESN[C@H]1C[C@H]1CC(=O)OCc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H12Cl2N2O2/c12-9-1-6(2-10(13)15-9)5-17-11(16)4-7-3-8(7)14/h1-2,7-8H,3-5,14H2/t7-,8-/m0/s1
InChIKeyBRZSGSKFPCAZHN-YUMQZZPRSA-N
XLogP2.17
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dichloro-4-pyridinyl)methyl formate
CID 87852501
[4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxymethyl]phenyl]methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 23850335
(6-chloro-3-pyridinyl)methyl 2,6-dichloropyridine-4-carboxylate
CID 11449945
2-[4-[(2S)-2-amino-3-[(2,6-dichloro-4-pyridinyl)methoxy]-3-oxopropyl]piperidin-1-yl]acetic acid
CID 170607219
2-[2-(2-but-2-enyl-4-oxocyclopentyl)acetyl]oxyethyl 2,6-dichloropyridine-4-carboxylate
CID 90978241
(3,5-diaminophenyl)methyl 2-cyclohexylacetate
CID 89125069
2,6-dichloro-4-(2-methoxyethoxymethyl)pyridine
CID 119088450
benzyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate
CID 155012287
cyclohexylmethyl 2,6-dichloropyridine-4-carboxylate
CID 60716775
[2-chloro-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl acetate
CID 151692476
(3,5-dimethylphenyl)methyl carbonochloridate
CID 13305535
[4-(carbonochloridoyloxymethyl)phenyl]methyl carbonochloridate
CID 19028303

Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-4-pyridinyl)methyl 2-[(1S,2S)-2-aminocyclopropyl]acetate?
The IUPAC name of (2,6-dichloro-4-pyridinyl)methyl 2-[(1S,2S)-2-aminocyclopropyl]acetate (CID 176881809) is (2,6-dichloro-4-pyridinyl)methyl 2-[(1S,2S)-2-aminocyclopropyl]acetate.
What is the SMILES notation for (2,6-dichloro-4-pyridinyl)methyl 2-[(1S,2S)-2-aminocyclopropyl]acetate?
The canonical SMILES for (2,6-dichloro-4-pyridinyl)methyl 2-[(1S,2S)-2-aminocyclopropyl]acetate is N[C@H]1C[C@H]1CC(=O)OCc1cc(Cl)nc(Cl)c1.
What is the InChIKey of (2,6-dichloro-4-pyridinyl)methyl 2-[(1S,2S)-2-aminocyclopropyl]acetate?
The InChIKey is BRZSGSKFPCAZHN-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c12-9-1-6(2-10(13)15-9)5-17-11(16)4-7-3-8(7)14/h1-2,7-8H,3-5,14H2/t7-,8-/m0/s1.
What are the key properties of (2,6-dichloro-4-pyridinyl)methyl 2-[(1S,2S)-2-aminocyclopropyl]acetate?
(2,6-dichloro-4-pyridinyl)methyl 2-[(1S,2S)-2-aminocyclopropyl]acetate has a molecular weight of 275.13 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-4-pyridinyl)methyl 2-[(1S,2S)-2-aminocyclopropyl]acetate is sourced from PubChem (CID 176881809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).