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

C15H13F2N3O3 — CID 133435192

IUPACN-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1NC1CCOC1c1ccc(F)c(F)c1
InChIInChI=1S/C15H13F2N3O3/c16-10-4-3-9(8-11(10)17)14-12(5-7-23-14)19-15-13(20(21)22)2-1-6-18-15/h1-4,6,8,12,14H,5,7H2,(H,18,19)
InChIKeyRACFRFFPTNYFCR-UHFFFAOYSA-N
MW321.28 g/mol
LogP3.21
Rot. Bonds4

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

N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-nitropyridin-2-amine (PubChem CID 133435192) has the molecular formula C15H13F2N3O3 and a molecular weight of 321.28 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-nitropyridin-2-amine
PubChem CID133435192
Molecular FormulaC15H13F2N3O3
Molecular Weight321.28 g/mol
Exact Mass321.09
IUPAC NameN-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1NC1CCOC1c1ccc(F)c(F)c1
InChIInChI=1S/C15H13F2N3O3/c16-10-4-3-9(8-11(10)17)14-12(5-7-23-14)19-15-13(20(21)22)2-1-6-18-15/h1-4,6,8,12,14H,5,7H2,(H,18,19)
InChIKeyRACFRFFPTNYFCR-UHFFFAOYSA-N
XLogP3.21
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 53.21
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-[4-[(2S)-morpholin-2-yl]phenyl]-5-nitropyrimidin-2-amine
CID 68325803
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-[[[6-(trifluoromethyl)-3-pyridyl]amino]methyl]phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl]azinic acid
CID 129904633
[(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
(2S)-2-[(5-Nitropyridin-2-yl)amino]-3-phenylpropan-1-ol
CID 44630405
(R)-[4-(5-fluoro-4-methoxy-2-methyl-phenyl)-3-nitro-pyridin-2-yl]-(1-methoxymethyl-propyl)-amine
CID 69658289
(3S)-4-(5-nitro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]morpholine
CID 153404142
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-nitropyridin-2-amine?
The IUPAC name of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-nitropyridin-2-amine (CID 133435192) is N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-nitropyridin-2-amine.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-nitropyridin-2-amine?
The canonical SMILES for N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-nitropyridin-2-amine is O=[N+]([O-])c1cccnc1NC1CCOC1c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-nitropyridin-2-amine?
The InChIKey is RACFRFFPTNYFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O3/c16-10-4-3-9(8-11(10)17)14-12(5-7-23-14)19-15-13(20(21)22)2-1-6-18-15/h1-4,6,8,12,14H,5,7H2,(H,18,19).
What are the key properties of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-nitropyridin-2-amine?
N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-nitropyridin-2-amine has a molecular weight of 321.28 g/mol, XLogP of 3.21, 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]-3-nitropyridin-2-amine is sourced from PubChem (CID 133435192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).