1-(4-chloro-5-fluoro-2-pyridinyl)ethyl N-ethylcarbamate

C10H12ClFN2O2 — CID 169005645

IUPAC1-(4-chloro-5-fluoro-2-pyridinyl)ethyl N-ethylcarbamate
SMILESCCNC(=O)OC(C)c1cc(Cl)c(F)cn1
InChIInChI=1S/C10H12ClFN2O2/c1-3-13-10(15)16-6(2)9-4-7(11)8(12)5-14-9/h4-6H,3H2,1-2H3,(H,13,15)
InChIKeyMQJJEQYFTSUIMY-UHFFFAOYSA-N
MW246.67 g/mol
LogP2.68
Rot. Bonds3

About 1-(4-chloro-5-fluoro-2-pyridinyl)ethyl N-ethylcarbamate

1-(4-chloro-5-fluoro-2-pyridinyl)ethyl N-ethylcarbamate (PubChem CID 169005645) has the molecular formula C10H12ClFN2O2 and a molecular weight of 246.67 g/mol. Its IUPAC name is 1-(4-chloro-5-fluoro-2-pyridinyl)ethyl N-ethylcarbamate.

Molecular Properties

Compound Name1-(4-chloro-5-fluoro-2-pyridinyl)ethyl N-ethylcarbamate
PubChem CID169005645
Molecular FormulaC10H12ClFN2O2
Molecular Weight246.67 g/mol
Exact Mass246.06
IUPAC Name1-(4-chloro-5-fluoro-2-pyridinyl)ethyl N-ethylcarbamate
SMILESCCNC(=O)OC(C)c1cc(Cl)c(F)cn1
InChIInChI=1S/C10H12ClFN2O2/c1-3-13-10(15)16-6(2)9-4-7(11)8(12)5-14-9/h4-6H,3H2,1-2H3,(H,13,15)
InChIKeyMQJJEQYFTSUIMY-UHFFFAOYSA-N
XLogP2.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.67
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-ethylcarbamate
CID 163278312
2,4-dichloro-N-ethyl-5-fluorobenzamide
CID 60664980
2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-N-ethylpropanamide
CID 43226363
(R)-N-[(1R)-1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 163278122
[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]azanium
CID 8639633
tert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-cyclopropylcarbamate
CID 163278237
2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-ethylpropanamide
CID 79081259
2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-ethylpropanamide
CID 79728652
4-chloro-2,5-difluoro-N-(2-methylpropyl)benzamide
CID 82772630
(4-chloro-5-fluoro-2-pyridinyl)methyl acetate
CID 68735259
2-(3-chloro-4-fluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120653969
(2S)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-ethylpropanamide
CID 9229551

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-5-fluoro-2-pyridinyl)ethyl N-ethylcarbamate?
The IUPAC name of 1-(4-chloro-5-fluoro-2-pyridinyl)ethyl N-ethylcarbamate (CID 169005645) is 1-(4-chloro-5-fluoro-2-pyridinyl)ethyl N-ethylcarbamate.
What is the SMILES notation for 1-(4-chloro-5-fluoro-2-pyridinyl)ethyl N-ethylcarbamate?
The canonical SMILES for 1-(4-chloro-5-fluoro-2-pyridinyl)ethyl N-ethylcarbamate is CCNC(=O)OC(C)c1cc(Cl)c(F)cn1.
What is the InChIKey of 1-(4-chloro-5-fluoro-2-pyridinyl)ethyl N-ethylcarbamate?
The InChIKey is MQJJEQYFTSUIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O2/c1-3-13-10(15)16-6(2)9-4-7(11)8(12)5-14-9/h4-6H,3H2,1-2H3,(H,13,15).
What are the key properties of 1-(4-chloro-5-fluoro-2-pyridinyl)ethyl N-ethylcarbamate?
1-(4-chloro-5-fluoro-2-pyridinyl)ethyl N-ethylcarbamate has a molecular weight of 246.67 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-5-fluoro-2-pyridinyl)ethyl N-ethylcarbamate is sourced from PubChem (CID 169005645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).