[[C-(6-chloro-3-methyl-2-pyridinyl)-N-methylcarbonimidoyl]amino] formate

C9H10ClN3O2 — CID 169269120

IUPAC[[C-(6-chloro-3-methyl-2-pyridinyl)-N-methylcarbonimidoyl]amino] formate
SMILESC/N=C(\NOC=O)c1nc(Cl)ccc1C
InChIInChI=1S/C9H10ClN3O2/c1-6-3-4-7(10)12-8(6)9(11-2)13-15-5-14/h3-5H,1-2H3,(H,11,13)
InChIKeyQEILLPKALBVGGI-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.10
Rot. Bonds3

About [[C-(6-chloro-3-methyl-2-pyridinyl)-N-methylcarbonimidoyl]amino] formate

[[C-(6-chloro-3-methyl-2-pyridinyl)-N-methylcarbonimidoyl]amino] formate (PubChem CID 169269120) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is [[C-(6-chloro-3-methyl-2-pyridinyl)-N-methylcarbonimidoyl]amino] formate.

Molecular Properties

Compound Name[[C-(6-chloro-3-methyl-2-pyridinyl)-N-methylcarbonimidoyl]amino] formate
PubChem CID169269120
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name[[C-(6-chloro-3-methyl-2-pyridinyl)-N-methylcarbonimidoyl]amino] formate
SMILESC/N=C(\NOC=O)c1nc(Cl)ccc1C
InChIInChI=1S/C9H10ClN3O2/c1-6-3-4-7(10)12-8(6)9(11-2)13-15-5-14/h3-5H,1-2H3,(H,11,13)
InChIKeyQEILLPKALBVGGI-UHFFFAOYSA-N
XLogP1.10
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 [[C-(6-chloro-3-methyl-2-pyridinyl)-N-methylcarbonimidoyl]amino] formate?
The IUPAC name of [[C-(6-chloro-3-methyl-2-pyridinyl)-N-methylcarbonimidoyl]amino] formate (CID 169269120) is [[C-(6-chloro-3-methyl-2-pyridinyl)-N-methylcarbonimidoyl]amino] formate.
What is the SMILES notation for [[C-(6-chloro-3-methyl-2-pyridinyl)-N-methylcarbonimidoyl]amino] formate?
The canonical SMILES for [[C-(6-chloro-3-methyl-2-pyridinyl)-N-methylcarbonimidoyl]amino] formate is C/N=C(\NOC=O)c1nc(Cl)ccc1C.
What is the InChIKey of [[C-(6-chloro-3-methyl-2-pyridinyl)-N-methylcarbonimidoyl]amino] formate?
The InChIKey is QEILLPKALBVGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c1-6-3-4-7(10)12-8(6)9(11-2)13-15-5-14/h3-5H,1-2H3,(H,11,13).
What are the key properties of [[C-(6-chloro-3-methyl-2-pyridinyl)-N-methylcarbonimidoyl]amino] formate?
[[C-(6-chloro-3-methyl-2-pyridinyl)-N-methylcarbonimidoyl]amino] formate has a molecular weight of 227.65 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[C-(6-chloro-3-methyl-2-pyridinyl)-N-methylcarbonimidoyl]amino] formate is sourced from PubChem (CID 169269120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).