1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethylcarbamic acid

C11H14F2N2O3 — CID 87427111

IUPAC1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethylcarbamic acid
SMILESCc1cc(C(C)NC(=O)O)cnc1OCC(F)F
InChIInChI=1S/C11H14F2N2O3/c1-6-3-8(7(2)15-11(16)17)4-14-10(6)18-5-9(12)13/h3-4,7,9,15H,5H2,1-2H3,(H,16,17)
InChIKeyLPWWKITUOOHSOM-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.36
Rot. Bonds5

About 1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethylcarbamic acid

1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethylcarbamic acid (PubChem CID 87427111) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is 1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethylcarbamic acid.

Molecular Properties

Compound Name1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethylcarbamic acid
PubChem CID87427111
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC Name1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethylcarbamic acid
SMILESCc1cc(C(C)NC(=O)O)cnc1OCC(F)F
InChIInChI=1S/C11H14F2N2O3/c1-6-3-8(7(2)15-11(16)17)4-14-10(6)18-5-9(12)13/h3-4,7,9,15H,5H2,1-2H3,(H,16,17)
InChIKeyLPWWKITUOOHSOM-UHFFFAOYSA-N
XLogP2.36
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]propan-2-amine
CID 151855851
N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-2-methylpropan-2-amine
CID 150867145
N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-2-methyl-6-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
CID 158102449
2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-6-methylpyridine-4-carboxamide
CID 148558699
N-[1-[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 87426798
N-[1-[6-(2,2-difluoroethoxy)-5-methoxy-3-pyridinyl]ethyl]-2-methyl-6-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
CID 159797383
N-[2-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-2-hydroxypropanamide
CID 140670282
N-[2-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide
CID 74539925
N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 87426753
2-methylpropan-2-amine;N-[1-[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 162621501
N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide
CID 162566089
N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-[(2-cyclopropylacetyl)amino]-6-methylpyridine-4-carboxamide
CID 87426752

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethylcarbamic acid?
The IUPAC name of 1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethylcarbamic acid (CID 87427111) is 1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethylcarbamic acid.
What is the SMILES notation for 1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethylcarbamic acid?
The canonical SMILES for 1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethylcarbamic acid is Cc1cc(C(C)NC(=O)O)cnc1OCC(F)F.
What is the InChIKey of 1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethylcarbamic acid?
The InChIKey is LPWWKITUOOHSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c1-6-3-8(7(2)15-11(16)17)4-14-10(6)18-5-9(12)13/h3-4,7,9,15H,5H2,1-2H3,(H,16,17).
What are the key properties of 1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethylcarbamic acid?
1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethylcarbamic acid has a molecular weight of 260.24 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethylcarbamic acid is sourced from PubChem (CID 87427111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).