6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propylpyridine-3-carbaldehyde;methylhydrazine;N-methylmethanamine;2-methylpropane

C24H38F5N5O — CID 177333744

IUPAC6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propylpyridine-3-carbaldehyde;methylhydrazine;N-methylmethanamine;2-methylpropane
SMILESCC(C)C.CCCc1nc(-c2cc(N)c(F)c(C)c2C(F)(F)F)c(F)cc1C=O.CNC.CNN
InChIInChI=1S/C17H15F5N2O.C4H10.C2H7N.CH6N2/c1-3-4-13-9(7-25)5-11(18)16(24-13)10-6-12(23)15(19)8(2)14(10)17(20,21)22;1-4(2)3;2*1-3-2/h5-7H,3-4,23H2,1-2H3;4H,1-3H3;3H,1-2H3;3H,2H2,1H3
InChIKeyNXYRCHDQJXZZBK-UHFFFAOYSA-N
MW507.59 g/mol
LogP5.28
Rot. Bonds4

About 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propylpyridine-3-carbaldehyde;methylhydrazine;N-methylmethanamine;2-methylpropane

6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propylpyridine-3-carbaldehyde;methylhydrazine;N-methylmethanamine;2-methylpropane (PubChem CID 177333744) has the molecular formula C24H38F5N5O and a molecular weight of 507.59 g/mol. Its IUPAC name is 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propylpyridine-3-carbaldehyde;methylhydrazine;N-methylmethanamine;2-methylpropane.

Molecular Properties

Compound Name6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propylpyridine-3-carbaldehyde;methylhydrazine;N-methylmethanamine;2-methylpropane
PubChem CID177333744
Molecular FormulaC24H38F5N5O
Molecular Weight507.59 g/mol
Exact Mass507.30
IUPAC Name6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propylpyridine-3-carbaldehyde;methylhydrazine;N-methylmethanamine;2-methylpropane
SMILESCC(C)C.CCCc1nc(-c2cc(N)c(F)c(C)c2C(F)(F)F)c(F)cc1C=O.CNC.CNN
InChIInChI=1S/C17H15F5N2O.C4H10.C2H7N.CH6N2/c1-3-4-13-9(7-25)5-11(18)16(24-13)10-6-12(23)15(19)8(2)14(10)17(20,21)22;1-4(2)3;2*1-3-2/h5-7H,3-4,23H2,1-2H3;4H,1-3H3;3H,1-2H3;3H,2H2,1H3
InChIKeyNXYRCHDQJXZZBK-UHFFFAOYSA-N
XLogP5.28
TPSA106.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.59
LogP ≤ 55.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(6-fluoro-5-propanoyl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 123892553
N-[(3Z,5E)-6-aminohepta-1,3,5-trien-2-yl]-2-(2,3-dimethylhexyl)-6-[3-fluoro-5-(2-methylpropylamino)phenyl]pyridine-3-carboxamide
CID 169947217
6-[5-Amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde;methanamine;2-methyl-2-(3,3,3-trifluoro-2-methylpropyl)azetidine
CID 177333888
1-[6-[[5-(Dimethylamino)-2-methylphenyl]methyl]-2-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoroethanone
CID 101121886
6-[5-Amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propylpyridine-3-carbaldehyde
CID 177333745
6-[5-Amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde
CID 177333890
5-fluoro-N',2-dimethyl-6-[(1E)-1-(6-methyl-1H-pyridin-2-ylidene)prop-2-enyl]pyridine-3-carboximidamide;4-(methylamino)benzaldehyde;2-methylbutane
CID 143779958

Frequently Asked Questions

What is the IUPAC name of 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propylpyridine-3-carbaldehyde;methylhydrazine;N-methylmethanamine;2-methylpropane?
The IUPAC name of 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propylpyridine-3-carbaldehyde;methylhydrazine;N-methylmethanamine;2-methylpropane (CID 177333744) is 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propylpyridine-3-carbaldehyde;methylhydrazine;N-methylmethanamine;2-methylpropane.
What is the SMILES notation for 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propylpyridine-3-carbaldehyde;methylhydrazine;N-methylmethanamine;2-methylpropane?
The canonical SMILES for 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propylpyridine-3-carbaldehyde;methylhydrazine;N-methylmethanamine;2-methylpropane is CC(C)C.CCCc1nc(-c2cc(N)c(F)c(C)c2C(F)(F)F)c(F)cc1C=O.CNC.CNN.
What is the InChIKey of 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propylpyridine-3-carbaldehyde;methylhydrazine;N-methylmethanamine;2-methylpropane?
The InChIKey is NXYRCHDQJXZZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F5N2O.C4H10.C2H7N.CH6N2/c1-3-4-13-9(7-25)5-11(18)16(24-13)10-6-12(23)15(19)8(2)14(10)17(20,21)22;1-4(2)3;2*1-3-2/h5-7H,3-4,23H2,1-2H3;4H,1-3H3;3H,1-2H3;3H,2H2,1H3.
What are the key properties of 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propylpyridine-3-carbaldehyde;methylhydrazine;N-methylmethanamine;2-methylpropane?
6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propylpyridine-3-carbaldehyde;methylhydrazine;N-methylmethanamine;2-methylpropane has a molecular weight of 507.59 g/mol, XLogP of 5.28, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propylpyridine-3-carbaldehyde;methylhydrazine;N-methylmethanamine;2-methylpropane is sourced from PubChem (CID 177333744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).