methyl 6-[(3-fluoroanilino)methyl]pyridine-3-carboxylate;molecular hydrogen

C14H15FN2O2 — CID 145238567

IUPACmethyl 6-[(3-fluoroanilino)methyl]pyridine-3-carboxylate;molecular hydrogen
SMILESCOC(=O)c1ccc(CNc2cccc(F)c2)nc1.[H][H]
InChIInChI=1S/C14H13FN2O2.H2/c1-19-14(18)10-5-6-13(16-8-10)9-17-12-4-2-3-11(15)7-12;/h2-8,17H,9H2,1H3;1H
InChIKeyDICYHTVFXAPKEQ-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.87
Rot. Bonds4

About methyl 6-[(3-fluoroanilino)methyl]pyridine-3-carboxylate;molecular hydrogen

methyl 6-[(3-fluoroanilino)methyl]pyridine-3-carboxylate;molecular hydrogen (PubChem CID 145238567) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is methyl 6-[(3-fluoroanilino)methyl]pyridine-3-carboxylate;molecular hydrogen.

Molecular Properties

Compound Namemethyl 6-[(3-fluoroanilino)methyl]pyridine-3-carboxylate;molecular hydrogen
PubChem CID145238567
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Namemethyl 6-[(3-fluoroanilino)methyl]pyridine-3-carboxylate;molecular hydrogen
SMILESCOC(=O)c1ccc(CNc2cccc(F)c2)nc1.[H][H]
InChIInChI=1S/C14H13FN2O2.H2/c1-19-14(18)10-5-6-13(16-8-10)9-17-12-4-2-3-11(15)7-12;/h2-8,17H,9H2,1H3;1H
InChIKeyDICYHTVFXAPKEQ-UHFFFAOYSA-N
XLogP2.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoroaniline;methyl 6-[(3-fluoroanilino)methyl]pyridine-3-carboxylate;methyl 6-formylpyridine-3-carboxylate
CID 161074413
ethane;methyl 6-[(3-fluorophenyl)methyl]pyridine-3-carboxylate
CID 91575193
methyl 3-[(5-hydroxy-2-pyridinyl)methylamino]benzoate
CID 79775423
methyl 6-[(2-chloro-5-fluoroanilino)methyl]pyridine-3-carboxylate
CID 107528321
methyl 6-[(2-bromo-6-chloro-4-fluoroanilino)methyl]pyridine-3-carboxylate
CID 107611454
methyl 4-(3-fluoroanilino)benzoate
CID 67974249
methyl 6-[[3-fluoro-N-(pyridine-4-carbonyl)anilino]methyl]pyridine-3-carboxylate
CID 126544485
methyl 4-[(3-fluorophenyl)carbamoyl]benzoate
CID 9412634
methyl 4-fluoro-3-[(5-methyl-2-pyridinyl)methylamino]benzoate
CID 81311822
methyl 6-[(2-chloro-5-methylanilino)methyl]pyridine-3-carboxylate
CID 107634700
methyl 5-fluoro-2-[(5-methyl-2-pyridinyl)methylamino]benzoate
CID 81312860
ethane;methyl 6-(bromomethyl)pyridine-3-carboxylate
CID 142289362

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-fluoroanilino)methyl]pyridine-3-carboxylate;molecular hydrogen?
The IUPAC name of methyl 6-[(3-fluoroanilino)methyl]pyridine-3-carboxylate;molecular hydrogen (CID 145238567) is methyl 6-[(3-fluoroanilino)methyl]pyridine-3-carboxylate;molecular hydrogen.
What is the SMILES notation for methyl 6-[(3-fluoroanilino)methyl]pyridine-3-carboxylate;molecular hydrogen?
The canonical SMILES for methyl 6-[(3-fluoroanilino)methyl]pyridine-3-carboxylate;molecular hydrogen is COC(=O)c1ccc(CNc2cccc(F)c2)nc1.[H][H].
What is the InChIKey of methyl 6-[(3-fluoroanilino)methyl]pyridine-3-carboxylate;molecular hydrogen?
The InChIKey is DICYHTVFXAPKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2.H2/c1-19-14(18)10-5-6-13(16-8-10)9-17-12-4-2-3-11(15)7-12;/h2-8,17H,9H2,1H3;1H.
What are the key properties of methyl 6-[(3-fluoroanilino)methyl]pyridine-3-carboxylate;molecular hydrogen?
methyl 6-[(3-fluoroanilino)methyl]pyridine-3-carboxylate;molecular hydrogen has a molecular weight of 262.28 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-fluoroanilino)methyl]pyridine-3-carboxylate;molecular hydrogen is sourced from PubChem (CID 145238567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).