methyl 2-amino-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylate

C13H16F2N2O2 — CID 176851869

IUPACmethyl 2-amino-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C2CCC(F)(F)CC2)nc1N
InChIInChI=1S/C13H16F2N2O2/c1-19-12(18)9-2-3-10(17-11(9)16)8-4-6-13(14,15)7-5-8/h2-3,8H,4-7H2,1H3,(H2,16,17)
InChIKeyCNQPDVNMEITTHV-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.74
Rot. Bonds2

About methyl 2-amino-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylate

methyl 2-amino-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylate (PubChem CID 176851869) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is methyl 2-amino-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylate
PubChem CID176851869
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Namemethyl 2-amino-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C2CCC(F)(F)CC2)nc1N
InChIInChI=1S/C13H16F2N2O2/c1-19-12(18)9-2-3-10(17-11(9)16)8-4-6-13(14,15)7-5-8/h2-3,8H,4-7H2,1H3,(H2,16,17)
InChIKeyCNQPDVNMEITTHV-UHFFFAOYSA-N
XLogP2.74
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-cyclobutyl-2-(4,4-difluoroazepan-1-yl)pyridine-3-carboxylate
CID 146525996
methyl 2-amino-6-(4,4-difluorocyclohexen-1-yl)pyridine-3-carboxylate
CID 176851931
methyl 4-(4,4-difluorocyclohexyl)-2-fluorobenzoate
CID 90436246
methyl 4-[3-amino-6-(4-amino-4-hydroxycyclohexyl)pyrazin-2-yl]-2-fluorobenzoate
CID 123762473
methyl 2-amino-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylate
CID 142386891
methyl 2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylate
CID 90092997
methyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate
CID 36995603
methyl 4-amino-2-(2,2-dimethylcyclopropyl)pyrimidine-5-carboxylate
CID 107924798
methyl 4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-2-fluorobenzoate
CID 118046000
methyl 2,4-diamino-3-fluorobenzoate
CID 171030777
methyl 2-amino-3,4-difluorobenzoate
CID 22621156
methyl 2-amino-6-(3,3-difluorobutoxy)pyridine-3-carboxylate
CID 154664795

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylate (CID 176851869) is methyl 2-amino-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylate is COC(=O)c1ccc(C2CCC(F)(F)CC2)nc1N.
What is the InChIKey of methyl 2-amino-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylate?
The InChIKey is CNQPDVNMEITTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c1-19-12(18)9-2-3-10(17-11(9)16)8-4-6-13(14,15)7-5-8/h2-3,8H,4-7H2,1H3,(H2,16,17).
What are the key properties of methyl 2-amino-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylate?
methyl 2-amino-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylate has a molecular weight of 270.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylate is sourced from PubChem (CID 176851869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).