4-amino-2-(3,4-dihydro-2H-chromen-2-yl)pyridine-3-carboxylic acid

C15H14N2O3 — CID 175762341

IUPAC4-amino-2-(3,4-dihydro-2H-chromen-2-yl)pyridine-3-carboxylic acid
SMILESNc1ccnc(C2CCc3ccccc3O2)c1C(=O)O
InChIInChI=1S/C15H14N2O3/c16-10-7-8-17-14(13(10)15(18)19)12-6-5-9-3-1-2-4-11(9)20-12/h1-4,7-8,12H,5-6H2,(H2,16,17)(H,18,19)
InChIKeyHYXZQIIDUWIOGX-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.43
Rot. Bonds2

About 4-amino-2-(3,4-dihydro-2H-chromen-2-yl)pyridine-3-carboxylic acid

4-amino-2-(3,4-dihydro-2H-chromen-2-yl)pyridine-3-carboxylic acid (PubChem CID 175762341) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-amino-2-(3,4-dihydro-2H-chromen-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-(3,4-dihydro-2H-chromen-2-yl)pyridine-3-carboxylic acid
PubChem CID175762341
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name4-amino-2-(3,4-dihydro-2H-chromen-2-yl)pyridine-3-carboxylic acid
SMILESNc1ccnc(C2CCc3ccccc3O2)c1C(=O)O
InChIInChI=1S/C15H14N2O3/c16-10-7-8-17-14(13(10)15(18)19)12-6-5-9-3-1-2-4-11(9)20-12/h1-4,7-8,12H,5-6H2,(H2,16,17)(H,18,19)
InChIKeyHYXZQIIDUWIOGX-UHFFFAOYSA-N
XLogP2.43
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

calcium;carbonic acid;hydride;2-phenyl-3,4-dihydro-2H-chromene
CID 175471981
2-phenyl-3,4-dihydro-2H-chromene
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3,4-dihydro-2H-chromen-2-ylurea
CID 91352919
amino 3,4-dihydro-2H-chromene-2-carboxylate
CID 59060293
4-(3,4-dihydro-2H-chromen-2-yl)imidazole-2-thione
CID 175772410
2-(3-fluoro-2-pyridinyl)-6-methyl-3,4-dihydro-2H-chromen-7-amine
CID 118192448
2-[(2R)-3,4-dihydro-2H-chromen-2-yl]-1-phenylethanone
CID 73333079
[3-(3,4-dihydro-2H-chromen-2-yl)phenyl] dihydrogen phosphate
CID 67865556
N-benzylethanamine;2-phenyl-3,4-dihydro-2H-chromene
CID 66899013
3,4-dihydro-2H-chromen-2-ol;hexanoic acid
CID 175393308
2,3,4,5-tetrahydro-1-benzoxepin-2-ol
CID 118271774
6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]pyridine-3-carboxylic acid
CID 159522239

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3,4-dihydro-2H-chromen-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 4-amino-2-(3,4-dihydro-2H-chromen-2-yl)pyridine-3-carboxylic acid (CID 175762341) is 4-amino-2-(3,4-dihydro-2H-chromen-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-amino-2-(3,4-dihydro-2H-chromen-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-amino-2-(3,4-dihydro-2H-chromen-2-yl)pyridine-3-carboxylic acid is Nc1ccnc(C2CCc3ccccc3O2)c1C(=O)O.
What is the InChIKey of 4-amino-2-(3,4-dihydro-2H-chromen-2-yl)pyridine-3-carboxylic acid?
The InChIKey is HYXZQIIDUWIOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c16-10-7-8-17-14(13(10)15(18)19)12-6-5-9-3-1-2-4-11(9)20-12/h1-4,7-8,12H,5-6H2,(H2,16,17)(H,18,19).
What are the key properties of 4-amino-2-(3,4-dihydro-2H-chromen-2-yl)pyridine-3-carboxylic acid?
4-amino-2-(3,4-dihydro-2H-chromen-2-yl)pyridine-3-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3,4-dihydro-2H-chromen-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 175762341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).