(2-amino-6-chloro-3-pyridinyl) acetate

C7H7ClN2O2 — CID 143445346

IUPAC(2-amino-6-chloro-3-pyridinyl) acetate
SMILESCC(=O)Oc1ccc(Cl)nc1N
InChIInChI=1S/C7H7ClN2O2/c1-4(11)12-5-2-3-6(8)10-7(5)9/h2-3H,1H3,(H2,9,10)
InChIKeyVARLAGHYDKURLN-UHFFFAOYSA-N
MW186.60 g/mol
LogP1.24
Rot. Bonds1

About (2-amino-6-chloro-3-pyridinyl) acetate

(2-amino-6-chloro-3-pyridinyl) acetate (PubChem CID 143445346) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is (2-amino-6-chloro-3-pyridinyl) acetate.

Molecular Properties

Compound Name(2-amino-6-chloro-3-pyridinyl) acetate
PubChem CID143445346
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Name(2-amino-6-chloro-3-pyridinyl) acetate
SMILESCC(=O)Oc1ccc(Cl)nc1N
InChIInChI=1S/C7H7ClN2O2/c1-4(11)12-5-2-3-6(8)10-7(5)9/h2-3H,1H3,(H2,9,10)
InChIKeyVARLAGHYDKURLN-UHFFFAOYSA-N
XLogP1.24
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 51.24
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

(6-chloro-3-iodo-2-pyridinyl) acetate
CID 154051084
6-chloro-3-(trifluoromethoxy)pyridin-2-amine
CID 118991079
(2-chloroquinolin-7-yl) acetate
CID 174716501
[4-(aminomethyl)-2-chlorophenyl] acetate
CID 174881739
1-(6-chloro-3-methoxy-2-pyridinyl)ethanone
CID 119004175
(4-amino-7-oxocyclohepta-1,3,5-trien-1-yl) acetate
CID 71339719
[4-(4-acetyloxy-3-aminophenyl)-2-aminophenyl] acetate
CID 172815309
(2-amino-6-chloro-3-pyridinyl)-(2,3-difluoro-6-methoxyphenyl)methanone
CID 58590826
3-[(2,6-dichloro-3-pyridinyl)oxy]but-2-enoic acid
CID 71382631
(6-chloro-4-iodo-3-pyridinyl) acetate
CID 58764257
(2-amino-6-chloro-3-pyridinyl)boronic acid
CID 91882910
(8-acetyloxyquinoxalin-5-yl) acetate
CID 119081746

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-chloro-3-pyridinyl) acetate?
The IUPAC name of (2-amino-6-chloro-3-pyridinyl) acetate (CID 143445346) is (2-amino-6-chloro-3-pyridinyl) acetate.
What is the SMILES notation for (2-amino-6-chloro-3-pyridinyl) acetate?
The canonical SMILES for (2-amino-6-chloro-3-pyridinyl) acetate is CC(=O)Oc1ccc(Cl)nc1N.
What is the InChIKey of (2-amino-6-chloro-3-pyridinyl) acetate?
The InChIKey is VARLAGHYDKURLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c1-4(11)12-5-2-3-6(8)10-7(5)9/h2-3H,1H3,(H2,9,10).
What are the key properties of (2-amino-6-chloro-3-pyridinyl) acetate?
(2-amino-6-chloro-3-pyridinyl) acetate has a molecular weight of 186.60 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-chloro-3-pyridinyl) acetate is sourced from PubChem (CID 143445346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).