methyl 2-methoxy-6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate

C14H17F3N2O3 — CID 129398766

IUPACmethyl 2-methoxy-6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCC[C@@H](C(F)(F)F)C2)nc1OC
InChIInChI=1S/C14H17F3N2O3/c1-21-12-10(13(20)22-2)5-6-11(18-12)19-7-3-4-9(8-19)14(15,16)17/h5-6,9H,3-4,7-8H2,1-2H3/t9-/m1/s1
InChIKeyOMISFKFNLDQCIF-SECBINFHSA-N
MW318.30 g/mol
LogP2.66
Rot. Bonds3

About methyl 2-methoxy-6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate

methyl 2-methoxy-6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate (PubChem CID 129398766) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.30 g/mol. Its IUPAC name is methyl 2-methoxy-6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate
PubChem CID129398766
Molecular FormulaC14H17F3N2O3
Molecular Weight318.30 g/mol
Exact Mass318.12
IUPAC Namemethyl 2-methoxy-6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCC[C@@H](C(F)(F)F)C2)nc1OC
InChIInChI=1S/C14H17F3N2O3/c1-21-12-10(13(20)22-2)5-6-11(18-12)19-7-3-4-9(8-19)14(15,16)17/h5-6,9H,3-4,7-8H2,1-2H3/t9-/m1/s1
InChIKeyOMISFKFNLDQCIF-SECBINFHSA-N
XLogP2.66
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-methoxy-6-methylaminopyridine-3-carboxylate
CID 10774260
(1-Butylpiperidin-4-yl)methyl 6-amino-5-chloro-2-methoxypyridine-3-carboxylate
CID 21467268
Methyl 2-(ethylamino)-5-fluoro-6-methoxypyridine-3-carboxylate
CID 14050996
Ethyl 2-[(cyclopropylmethyl)amino]-6-(2,2,2-trifluoroethoxy)nicotinate
CID 57867984
6-[(5-Fluoro-2-methoxy-pyridin-3-ylmethyl)-amino]-nicotinic acid methyl ester
CID 58259333
Methyl 2-(4-(trifluoromethyl)benzylamino)-6-methoxynicotinate
CID 59226086
2-methoxy-4-methyl-6-morpholin-4-yl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 67287439
6-Amino-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 67357950
2-Methoxy-6-(4-(2-trifluoromethylbenzoyl)piperazin-1-yl)nicotinic acid
CID 68740181
2-Methoxy-6-(4-(2-trifluoromethylbenzoyl)piperazin-1-yl)nicotinic acid methyl ester
CID 68740531
Ethyl 6-[3-(tert-butoxycarbonyl)azetidin-1-yl]-5-cyano-2-(2,2-difluoroethoxy)nicotinate
CID 86618310
1-[3-Cyano-6-(2,2-difluoroethoxy)-5-(ethoxycarbonyl)pyridin-2-yl]azetidine-3-carboxylic acid
CID 86618311

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-methoxy-6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate (CID 129398766) is methyl 2-methoxy-6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methoxy-6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-methoxy-6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate is COC(=O)c1ccc(N2CCC[C@@H](C(F)(F)F)C2)nc1OC.
What is the InChIKey of methyl 2-methoxy-6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate?
The InChIKey is OMISFKFNLDQCIF-SECBINFHSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c1-21-12-10(13(20)22-2)5-6-11(18-12)19-7-3-4-9(8-19)14(15,16)17/h5-6,9H,3-4,7-8H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl 2-methoxy-6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate?
methyl 2-methoxy-6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate has a molecular weight of 318.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 129398766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).