N-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-methyl-5-nitropyridin-2-amine

C16H15F2N3O3 — CID 133435191

IUPACN-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-methyl-5-nitropyridin-2-amine
SMILESCc1cc(NC2CCOC2c2ccc(F)c(F)c2)ncc1[N+](=O)[O-]
InChIInChI=1S/C16H15F2N3O3/c1-9-6-15(19-8-14(9)21(22)23)20-13-4-5-24-16(13)10-2-3-11(17)12(18)7-10/h2-3,6-8,13,16H,4-5H2,1H3,(H,19,20)
InChIKeyHDIYYRSFGBUBQG-UHFFFAOYSA-N
MW335.31 g/mol
LogP3.52
Rot. Bonds4

About N-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-methyl-5-nitropyridin-2-amine

N-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-methyl-5-nitropyridin-2-amine (PubChem CID 133435191) has the molecular formula C16H15F2N3O3 and a molecular weight of 335.31 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-methyl-5-nitropyridin-2-amine
PubChem CID133435191
Molecular FormulaC16H15F2N3O3
Molecular Weight335.31 g/mol
Exact Mass335.11
IUPAC NameN-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-methyl-5-nitropyridin-2-amine
SMILESCc1cc(NC2CCOC2c2ccc(F)c(F)c2)ncc1[N+](=O)[O-]
InChIInChI=1S/C16H15F2N3O3/c1-9-6-15(19-8-14(9)21(22)23)20-13-4-5-24-16(13)10-2-3-11(17)12(18)7-10/h2-3,6-8,13,16H,4-5H2,1H3,(H,19,20)
InChIKeyHDIYYRSFGBUBQG-UHFFFAOYSA-N
XLogP3.52
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methylphenoxy)ethyl]-5-nitropyridin-2-amine
CID 2921670
N-[2-(3-methylphenoxy)ethyl]-3-nitropyridin-2-amine
CID 5298233
2-[4-Fluoro-2-[(4s)-4-phenyl-4,5-dihydrooxazol-2-yl]phenylamino]-5-nitropyridine
CID 162625233
[(6S)-6-[[4-[[[5-(trifluoromethyl)-3-pyridyl]amino]methyl]phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl]azinic acid
CID 129904634
4-(5-fluoro-4-methoxy-2-methylphenyl)-N-(1-methoxybutan-2-yl)-3-nitropyridin-2-amine
CID 22052139
(4-fluoro-2-methylphenyl)methyl N-(4-methyl-3-nitro-2-pyridinyl)carbamate
CID 69492952
(R)-[4-(5-fluoro-4-methoxy-2-methyl-phenyl)-3-nitro-pyridin-2-yl]-(1-methoxymethyl-propyl)-amine
CID 69658289
5-fluoro-N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyridin-2-amine
CID 166100913
[4-[(5-Fluoro-3-nitro-2-pyridinyl)amino]phenyl]methyl acetate
CID 171494935
5-fluoro-N-[4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyridin-2-amine
CID 174214766
N-(3-nitropyrid-2-yl)-l-phenylalanine benzyl ester
CID 71565365
5-Nitro-2-[2-[(4s)-4-t-butyl-4,5-dihydrooxazol-2-yl]-phenylamino]pyridine
CID 162625218

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-methyl-5-nitropyridin-2-amine (CID 133435191) is N-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-methyl-5-nitropyridin-2-amine is Cc1cc(NC2CCOC2c2ccc(F)c(F)c2)ncc1[N+](=O)[O-].
What is the InChIKey of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-methyl-5-nitropyridin-2-amine?
The InChIKey is HDIYYRSFGBUBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O3/c1-9-6-15(19-8-14(9)21(22)23)20-13-4-5-24-16(13)10-2-3-11(17)12(18)7-10/h2-3,6-8,13,16H,4-5H2,1H3,(H,19,20).
What are the key properties of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-methyl-5-nitropyridin-2-amine?
N-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-methyl-5-nitropyridin-2-amine has a molecular weight of 335.31 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 133435191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).