(2Z)-2-(3-chloro-6-formamido-2-pyridinyl)-2-methoxyiminoacetic acid

C9H8ClN3O4 — CID 13060191

IUPAC(2Z)-2-(3-chloro-6-formamido-2-pyridinyl)-2-methoxyiminoacetic acid
SMILESCO/N=C(\C(=O)O)c1nc(NC=O)ccc1Cl
InChIInChI=1S/C9H8ClN3O4/c1-17-13-8(9(15)16)7-5(10)2-3-6(12-7)11-4-14/h2-4H,1H3,(H,15,16)(H,11,12,14)/b13-8-
InChIKeyMDTHGLMKFSTYCH-JYRVWZFOSA-N
MW257.63 g/mol
LogP0.74
Rot. Bonds5

About (2Z)-2-(3-chloro-6-formamido-2-pyridinyl)-2-methoxyiminoacetic acid

(2Z)-2-(3-chloro-6-formamido-2-pyridinyl)-2-methoxyiminoacetic acid (PubChem CID 13060191) has the molecular formula C9H8ClN3O4 and a molecular weight of 257.63 g/mol. Its IUPAC name is (2Z)-2-(3-chloro-6-formamido-2-pyridinyl)-2-methoxyiminoacetic acid.

Molecular Properties

Compound Name(2Z)-2-(3-chloro-6-formamido-2-pyridinyl)-2-methoxyiminoacetic acid
PubChem CID13060191
Molecular FormulaC9H8ClN3O4
Molecular Weight257.63 g/mol
Exact Mass257.02
IUPAC Name(2Z)-2-(3-chloro-6-formamido-2-pyridinyl)-2-methoxyiminoacetic acid
SMILESCO/N=C(\C(=O)O)c1nc(NC=O)ccc1Cl
InChIInChI=1S/C9H8ClN3O4/c1-17-13-8(9(15)16)7-5(10)2-3-6(12-7)11-4-14/h2-4H,1H3,(H,15,16)(H,11,12,14)/b13-8-
InChIKeyMDTHGLMKFSTYCH-JYRVWZFOSA-N
XLogP0.74
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.63
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(3-chloro-6-formamido-2-pyridinyl)-2-methoxyiminoacetic acid?
The IUPAC name of (2Z)-2-(3-chloro-6-formamido-2-pyridinyl)-2-methoxyiminoacetic acid (CID 13060191) is (2Z)-2-(3-chloro-6-formamido-2-pyridinyl)-2-methoxyiminoacetic acid.
What is the SMILES notation for (2Z)-2-(3-chloro-6-formamido-2-pyridinyl)-2-methoxyiminoacetic acid?
The canonical SMILES for (2Z)-2-(3-chloro-6-formamido-2-pyridinyl)-2-methoxyiminoacetic acid is CO/N=C(\C(=O)O)c1nc(NC=O)ccc1Cl.
What is the InChIKey of (2Z)-2-(3-chloro-6-formamido-2-pyridinyl)-2-methoxyiminoacetic acid?
The InChIKey is MDTHGLMKFSTYCH-JYRVWZFOSA-N. The full InChI is InChI=1S/C9H8ClN3O4/c1-17-13-8(9(15)16)7-5(10)2-3-6(12-7)11-4-14/h2-4H,1H3,(H,15,16)(H,11,12,14)/b13-8-.
What are the key properties of (2Z)-2-(3-chloro-6-formamido-2-pyridinyl)-2-methoxyiminoacetic acid?
(2Z)-2-(3-chloro-6-formamido-2-pyridinyl)-2-methoxyiminoacetic acid has a molecular weight of 257.63 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(3-chloro-6-formamido-2-pyridinyl)-2-methoxyiminoacetic acid is sourced from PubChem (CID 13060191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).