methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-5-fluoropyridine-3-carboxylate

C16H15FN2O2 — CID 166514049

IUPACmethyl 2-(2,3-dihydro-1H-inden-2-ylamino)-5-fluoropyridine-3-carboxylate
SMILESCOC(=O)c1cc(F)cnc1NC1Cc2ccccc2C1
InChIInChI=1S/C16H15FN2O2/c1-21-16(20)14-8-12(17)9-18-15(14)19-13-6-10-4-2-3-5-11(10)7-13/h2-5,8-9,13H,6-7H2,1H3,(H,18,19)
InChIKeyZMLSFQZYZCERJO-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.59
Rot. Bonds3

About methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-5-fluoropyridine-3-carboxylate

methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-5-fluoropyridine-3-carboxylate (PubChem CID 166514049) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-5-fluoropyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,3-dihydro-1H-inden-2-ylamino)-5-fluoropyridine-3-carboxylate
PubChem CID166514049
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Namemethyl 2-(2,3-dihydro-1H-inden-2-ylamino)-5-fluoropyridine-3-carboxylate
SMILESCOC(=O)c1cc(F)cnc1NC1Cc2ccccc2C1
InChIInChI=1S/C16H15FN2O2/c1-21-16(20)14-8-12(17)9-18-15(14)19-13-6-10-4-2-3-5-11(10)7-13/h2-5,8-9,13H,6-7H2,1H3,(H,18,19)
InChIKeyZMLSFQZYZCERJO-UHFFFAOYSA-N
XLogP2.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(2,3-dihydro-1H-inden-2-ylamino)pyridine-3-carboxamide
CID 107844315
methyl 5-fluoro-2-(3-fluoroanilino)pyridine-3-carboxylate
CID 90092866
(2-chloro-5-fluoropyridine-3-carbonyl) 2-(cyclopentylamino)-5-fluoropyridine-3-carboxylate
CID 87583158
methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666
N-(2-chloro-6-fluorophenyl)-2-(cyclopropylamino)-5-fluoropyridine-3-carboxamide
CID 162350144
5-fluoro-2-(thian-4-ylamino)pyridine-3-carboxamide
CID 141190389
methyl 2-(cyclopropylamino)-5-fluorobenzoate
CID 103439096
6-(2,3-dihydro-1H-inden-2-ylamino)pyridine-3-carboxylic acid
CID 114009300
methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 107856348
N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-3-nitropyridin-2-amine
CID 104695809
4-N-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 107855407
methyl 2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylate
CID 90092997

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-5-fluoropyridine-3-carboxylate?
The IUPAC name of methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-5-fluoropyridine-3-carboxylate (CID 166514049) is methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-5-fluoropyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-5-fluoropyridine-3-carboxylate?
The canonical SMILES for methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-5-fluoropyridine-3-carboxylate is COC(=O)c1cc(F)cnc1NC1Cc2ccccc2C1.
What is the InChIKey of methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-5-fluoropyridine-3-carboxylate?
The InChIKey is ZMLSFQZYZCERJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-21-16(20)14-8-12(17)9-18-15(14)19-13-6-10-4-2-3-5-11(10)7-13/h2-5,8-9,13H,6-7H2,1H3,(H,18,19).
What are the key properties of methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-5-fluoropyridine-3-carboxylate?
methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-5-fluoropyridine-3-carboxylate has a molecular weight of 286.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-5-fluoropyridine-3-carboxylate is sourced from PubChem (CID 166514049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).