tert-butyl N-(2,3-difluoro-4-pyridinyl)carbamate

C10H12F2N2O2 — CID 118295541

IUPACtert-butyl N-(2,3-difluoro-4-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccnc(F)c1F
InChIInChI=1S/C10H12F2N2O2/c1-10(2,3)16-9(15)14-6-4-5-13-8(12)7(6)11/h4-5H,1-3H3,(H,13,14,15)
InChIKeyMLVNYBOICDAPBX-UHFFFAOYSA-N
MW230.21 g/mol
LogP2.71
Rot. Bonds1

About tert-butyl N-(2,3-difluoro-4-pyridinyl)carbamate

tert-butyl N-(2,3-difluoro-4-pyridinyl)carbamate (PubChem CID 118295541) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is tert-butyl N-(2,3-difluoro-4-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,3-difluoro-4-pyridinyl)carbamate
PubChem CID118295541
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Nametert-butyl N-(2,3-difluoro-4-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccnc(F)c1F
InChIInChI=1S/C10H12F2N2O2/c1-10(2,3)16-9(15)14-6-4-5-13-8(12)7(6)11/h4-5H,1-3H3,(H,13,14,15)
InChIKeyMLVNYBOICDAPBX-UHFFFAOYSA-N
XLogP2.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-Pyridin-4-ylacetamide
CID 21288
ethyl N-(pyridin-3-yl)carbamate
CID 235275
4-(2,2,2-Trimethylacetamido)pyridine
CID 427059
1-methylprop-2-ynyl N-[4-(trifluoromethyl)pyridin-3-yl]carbamate
CID 2727131
Ethyl 4-pyridinylcarbamate
CID 766500
tert-butyl N-(2-methylpyridin-3-yl)carbamate
CID 68563825
4-(Boc-amino)pyridine
CID 9990210
1-(Trifluoroacetyl)-4-(dimethylamino)pyridinium Trifluoroacetate
CID 10860529
3-Amino-4-(Boc-amino)pyridine
CID 11095863
3,4-Bis(acetylamino)pyridine
CID 4348250
methyl N-(3-amino-4-pyridinyl)carbamate
CID 11768935
2,2,2-trifluoroethyl N-(pyridin-3-yl)carbamate
CID 8851547

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,3-difluoro-4-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(2,3-difluoro-4-pyridinyl)carbamate (CID 118295541) is tert-butyl N-(2,3-difluoro-4-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(2,3-difluoro-4-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(2,3-difluoro-4-pyridinyl)carbamate is CC(C)(C)OC(=O)Nc1ccnc(F)c1F.
What is the InChIKey of tert-butyl N-(2,3-difluoro-4-pyridinyl)carbamate?
The InChIKey is MLVNYBOICDAPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-10(2,3)16-9(15)14-6-4-5-13-8(12)7(6)11/h4-5H,1-3H3,(H,13,14,15).
What are the key properties of tert-butyl N-(2,3-difluoro-4-pyridinyl)carbamate?
tert-butyl N-(2,3-difluoro-4-pyridinyl)carbamate has a molecular weight of 230.21 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,3-difluoro-4-pyridinyl)carbamate is sourced from PubChem (CID 118295541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).