ethyl 3-(phosphanylamino)-5-(trifluoromethyl)pyridine-2-carboxylate

C9H10F3N2O2P — CID 134461260

IUPACethyl 3-(phosphanylamino)-5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(C(F)(F)F)cc1NP
InChIInChI=1S/C9H10F3N2O2P/c1-2-16-8(15)7-6(14-17)3-5(4-13-7)9(10,11)12/h3-4,14H,2,17H2,1H3
InChIKeyVEKFZGJLBPNVPN-UHFFFAOYSA-N
MW266.16 g/mol
LogP2.48
Rot. Bonds3

About ethyl 3-(phosphanylamino)-5-(trifluoromethyl)pyridine-2-carboxylate

ethyl 3-(phosphanylamino)-5-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 134461260) has the molecular formula C9H10F3N2O2P and a molecular weight of 266.16 g/mol. Its IUPAC name is ethyl 3-(phosphanylamino)-5-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(phosphanylamino)-5-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID134461260
Molecular FormulaC9H10F3N2O2P
Molecular Weight266.16 g/mol
Exact Mass266.04
IUPAC Nameethyl 3-(phosphanylamino)-5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(C(F)(F)F)cc1NP
InChIInChI=1S/C9H10F3N2O2P/c1-2-16-8(15)7-6(14-17)3-5(4-13-7)9(10,11)12/h3-4,14H,2,17H2,1H3
InChIKeyVEKFZGJLBPNVPN-UHFFFAOYSA-N
XLogP2.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.16
LogP ≤ 52.48
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

ethyl 3-iodo-5-(trifluoromethyl)pyridine-2-carboxylate
CID 133096652
ethyl 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134664348
ethyl 3-(2-oxoethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134461725
ethyl 6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate
CID 2809345
ethyl 2-[2-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 133096484
methyl 3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate
CID 121231628
methyl 3-bromo-5-(trifluoromethyl)pyridine-2-carboxylate
CID 46311089
ethyl 3-acetamido-5-chloropyridine-2-carboxylate
CID 18980357
ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxo-4H-1,2,4-triazine-6-carboxylate
CID 136768831
ethyl 5-amino-3-fluoropyridine-2-carboxylate
CID 119005075
diethyl 5-chloropyridine-2,3-dicarboxylate
CID 14097638
ethyl 5-(difluoromethyl)-3-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133102453

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(phosphanylamino)-5-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 3-(phosphanylamino)-5-(trifluoromethyl)pyridine-2-carboxylate (CID 134461260) is ethyl 3-(phosphanylamino)-5-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-(phosphanylamino)-5-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-(phosphanylamino)-5-(trifluoromethyl)pyridine-2-carboxylate is CCOC(=O)c1ncc(C(F)(F)F)cc1NP.
What is the InChIKey of ethyl 3-(phosphanylamino)-5-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is VEKFZGJLBPNVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N2O2P/c1-2-16-8(15)7-6(14-17)3-5(4-13-7)9(10,11)12/h3-4,14H,2,17H2,1H3.
What are the key properties of ethyl 3-(phosphanylamino)-5-(trifluoromethyl)pyridine-2-carboxylate?
ethyl 3-(phosphanylamino)-5-(trifluoromethyl)pyridine-2-carboxylate has a molecular weight of 266.16 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(phosphanylamino)-5-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 134461260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).