methyl 2-(phosphanylamino)pyridine-4-carboxylate

C7H9N2O2P — CID 22084632

IUPACmethyl 2-(phosphanylamino)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NP)c1
InChIInChI=1S/C7H9N2O2P/c1-11-7(10)5-2-3-8-6(4-5)9-12/h2-4H,12H2,1H3,(H,8,9)
InChIKeyKQYOSGBKFOWOMC-UHFFFAOYSA-N
MW184.13 g/mol
LogP1.07
Rot. Bonds2

About methyl 2-(phosphanylamino)pyridine-4-carboxylate

methyl 2-(phosphanylamino)pyridine-4-carboxylate (PubChem CID 22084632) has the molecular formula C7H9N2O2P and a molecular weight of 184.13 g/mol. Its IUPAC name is methyl 2-(phosphanylamino)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(phosphanylamino)pyridine-4-carboxylate
PubChem CID22084632
Molecular FormulaC7H9N2O2P
Molecular Weight184.13 g/mol
Exact Mass184.04
IUPAC Namemethyl 2-(phosphanylamino)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NP)c1
InChIInChI=1S/C7H9N2O2P/c1-11-7(10)5-2-3-8-6(4-5)9-12/h2-4H,12H2,1H3,(H,8,9)
InChIKeyKQYOSGBKFOWOMC-UHFFFAOYSA-N
XLogP1.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.13
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(trideuteriomethylamino)pyridine-4-carboxylate
CID 155292007
methyl 2-(propanoylamino)pyridine-4-carboxylate
CID 67508364
2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid
CID 83834716
methyl 2-(2-aminoethylamino)pyridine-4-carboxylate
CID 83830934
methyl 2-(butan-2-ylamino)pyridine-4-carboxylate
CID 68814423
methyl 2-[[(2S)-butan-2-yl]amino]pyridine-4-carboxylate
CID 68814422
methyl 2-(1-bromoethylcarbamoylamino)pyridine-4-carboxylate
CID 143854974
methyl 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridine-4-carboxylate
CID 114075125
methyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
CID 171703679
methyl 2-(2-bromo-5-methylanilino)pyridine-4-carboxylate
CID 114075074
methyl 2-(3-methoxyanilino)pyridine-4-carboxylate
CID 68663874
methyl 2-(2-bromo-5-iodoanilino)pyridine-4-carboxylate
CID 114260440

Frequently Asked Questions

What is the IUPAC name of methyl 2-(phosphanylamino)pyridine-4-carboxylate?
The IUPAC name of methyl 2-(phosphanylamino)pyridine-4-carboxylate (CID 22084632) is methyl 2-(phosphanylamino)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(phosphanylamino)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-(phosphanylamino)pyridine-4-carboxylate is COC(=O)c1ccnc(NP)c1.
What is the InChIKey of methyl 2-(phosphanylamino)pyridine-4-carboxylate?
The InChIKey is KQYOSGBKFOWOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N2O2P/c1-11-7(10)5-2-3-8-6(4-5)9-12/h2-4H,12H2,1H3,(H,8,9).
What are the key properties of methyl 2-(phosphanylamino)pyridine-4-carboxylate?
methyl 2-(phosphanylamino)pyridine-4-carboxylate has a molecular weight of 184.13 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(phosphanylamino)pyridine-4-carboxylate is sourced from PubChem (CID 22084632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).