N-cyclopropyl-6-fluoro-N-[(2-nitrophenyl)methyl]pyridin-2-amine

C15H14FN3O2 — CID 133397167

IUPACN-cyclopropyl-6-fluoro-N-[(2-nitrophenyl)methyl]pyridin-2-amine
SMILESO=[N+]([O-])c1ccccc1CN(c1cccc(F)n1)C1CC1
InChIInChI=1S/C15H14FN3O2/c16-14-6-3-7-15(17-14)18(12-8-9-12)10-11-4-1-2-5-13(11)19(20)21/h1-7,12H,8-10H2
InChIKeyWNXGIESDXHDPLU-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.30
Rot. Bonds5

About N-cyclopropyl-6-fluoro-N-[(2-nitrophenyl)methyl]pyridin-2-amine

N-cyclopropyl-6-fluoro-N-[(2-nitrophenyl)methyl]pyridin-2-amine (PubChem CID 133397167) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is N-cyclopropyl-6-fluoro-N-[(2-nitrophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-fluoro-N-[(2-nitrophenyl)methyl]pyridin-2-amine
PubChem CID133397167
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC NameN-cyclopropyl-6-fluoro-N-[(2-nitrophenyl)methyl]pyridin-2-amine
SMILESO=[N+]([O-])c1ccccc1CN(c1cccc(F)n1)C1CC1
InChIInChI=1S/C15H14FN3O2/c16-14-6-3-7-15(17-14)18(12-8-9-12)10-11-4-1-2-5-13(11)19(20)21/h1-7,12H,8-10H2
InChIKeyWNXGIESDXHDPLU-UHFFFAOYSA-N
XLogP3.30
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N-[(2-nitrophenyl)methyl]pyridin-2-amine
CID 133397265
6-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyrazine-2-carboxamide
CID 133397339
N-[(2-nitrophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
CID 71650499
5-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyridine-2-carbonitrile
CID 133397299
N-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)-N-[(2-nitrophenyl)methyl]pyridazin-3-amine
CID 133397352
4-ethyl-N-[(2-fluoro-3-nitrophenyl)methyl]-N-methylcyclohexan-1-amine
CID 107348198
N-methyl-N-[(2-nitrophenyl)methyl]-1-oxothian-4-amine
CID 75408181
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(2-nitrophenyl)acetamide
CID 18133640
2-[cyclopropyl-[(2-nitrophenyl)methyl]amino]propanoic acid
CID 119994912
N-[(2-nitrophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79700162
N-[(2-nitrophenyl)methyl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine
CID 75386873
2-[cyclopropyl-[2-(2-nitrophenyl)ethyl]amino]ethanol
CID 55147193

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-fluoro-N-[(2-nitrophenyl)methyl]pyridin-2-amine?
The IUPAC name of N-cyclopropyl-6-fluoro-N-[(2-nitrophenyl)methyl]pyridin-2-amine (CID 133397167) is N-cyclopropyl-6-fluoro-N-[(2-nitrophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for N-cyclopropyl-6-fluoro-N-[(2-nitrophenyl)methyl]pyridin-2-amine?
The canonical SMILES for N-cyclopropyl-6-fluoro-N-[(2-nitrophenyl)methyl]pyridin-2-amine is O=[N+]([O-])c1ccccc1CN(c1cccc(F)n1)C1CC1.
What is the InChIKey of N-cyclopropyl-6-fluoro-N-[(2-nitrophenyl)methyl]pyridin-2-amine?
The InChIKey is WNXGIESDXHDPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c16-14-6-3-7-15(17-14)18(12-8-9-12)10-11-4-1-2-5-13(11)19(20)21/h1-7,12H,8-10H2.
What are the key properties of N-cyclopropyl-6-fluoro-N-[(2-nitrophenyl)methyl]pyridin-2-amine?
N-cyclopropyl-6-fluoro-N-[(2-nitrophenyl)methyl]pyridin-2-amine has a molecular weight of 287.29 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-fluoro-N-[(2-nitrophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 133397167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).