tert-butyl N-(5-chloro-3-fluoro-2-morpholin-4-yl-4-pyridinyl)carbamate

C14H19ClFN3O3 — CID 139405218

IUPACtert-butyl N-(5-chloro-3-fluoro-2-morpholin-4-yl-4-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1c(Cl)cnc(N2CCOCC2)c1F
InChIInChI=1S/C14H19ClFN3O3/c1-14(2,3)22-13(20)18-11-9(15)8-17-12(10(11)16)19-4-6-21-7-5-19/h8H,4-7H2,1-3H3,(H,17,18,20)
InChIKeyPTEYUAATCOPIAR-UHFFFAOYSA-N
MW331.78 g/mol
LogP3.06
Rot. Bonds2

About tert-butyl N-(5-chloro-3-fluoro-2-morpholin-4-yl-4-pyridinyl)carbamate

tert-butyl N-(5-chloro-3-fluoro-2-morpholin-4-yl-4-pyridinyl)carbamate (PubChem CID 139405218) has the molecular formula C14H19ClFN3O3 and a molecular weight of 331.78 g/mol. Its IUPAC name is tert-butyl N-(5-chloro-3-fluoro-2-morpholin-4-yl-4-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-chloro-3-fluoro-2-morpholin-4-yl-4-pyridinyl)carbamate
PubChem CID139405218
Molecular FormulaC14H19ClFN3O3
Molecular Weight331.78 g/mol
Exact Mass331.11
IUPAC Nametert-butyl N-(5-chloro-3-fluoro-2-morpholin-4-yl-4-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1c(Cl)cnc(N2CCOCC2)c1F
InChIInChI=1S/C14H19ClFN3O3/c1-14(2,3)22-13(20)18-11-9(15)8-17-12(10(11)16)19-4-6-21-7-5-19/h8H,4-7H2,1-3H3,(H,17,18,20)
InChIKeyPTEYUAATCOPIAR-UHFFFAOYSA-N
XLogP3.06
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]carbamate
CID 139405648
tert-butyl N-[5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]carbamate;5-chloro-2,3-difluoropyridine;5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridin-4-amine;5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid;1-(5-chloro-3-fluoro-2-pyridinyl)-4-methylpiperazine;1-methylpiperazine
CID 157338651
tert-butyl N-(2-chloro-3-fluoro-4-pyridinyl)carbamate;tert-butyl N-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)carbamate;2-chloro-3-fluoro-4-iodopyridine;2-chloro-3-fluoropyridine;3-fluoro-2-morpholin-4-ylpyridin-4-amine
CID 159681472
tert-butyl N-[4-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-1,4-oxazepan-6-yl]carbamate
CID 168987535
5-chloro-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 19869906
tert-butyl N-[2-methoxy-5-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]carbamate
CID 146200706
tert-butyl N-[6-(1,4-oxazocan-4-yl)-2-pyridinyl]carbamate
CID 139373537
tert-butyl N-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]carbamate
CID 113021128
tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate
CID 63787976
5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
CID 123571753
tert-butyl N-[4-[(3-fluoro-4-morpholin-4-ylphenyl)carbamoyl]phenyl]carbamate
CID 56500216
tert-butyl 4-[5-[(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)methoxy]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]piperazine-1-carboxylate
CID 164545715

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-chloro-3-fluoro-2-morpholin-4-yl-4-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(5-chloro-3-fluoro-2-morpholin-4-yl-4-pyridinyl)carbamate (CID 139405218) is tert-butyl N-(5-chloro-3-fluoro-2-morpholin-4-yl-4-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-chloro-3-fluoro-2-morpholin-4-yl-4-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(5-chloro-3-fluoro-2-morpholin-4-yl-4-pyridinyl)carbamate is CC(C)(C)OC(=O)Nc1c(Cl)cnc(N2CCOCC2)c1F.
What is the InChIKey of tert-butyl N-(5-chloro-3-fluoro-2-morpholin-4-yl-4-pyridinyl)carbamate?
The InChIKey is PTEYUAATCOPIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN3O3/c1-14(2,3)22-13(20)18-11-9(15)8-17-12(10(11)16)19-4-6-21-7-5-19/h8H,4-7H2,1-3H3,(H,17,18,20).
What are the key properties of tert-butyl N-(5-chloro-3-fluoro-2-morpholin-4-yl-4-pyridinyl)carbamate?
tert-butyl N-(5-chloro-3-fluoro-2-morpholin-4-yl-4-pyridinyl)carbamate has a molecular weight of 331.78 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-chloro-3-fluoro-2-morpholin-4-yl-4-pyridinyl)carbamate is sourced from PubChem (CID 139405218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).