2-[(3-fluoro-5-methylanilino)methyl]pyridine-3-carboxylic acid

C14H13FN2O2 — CID 114198744

IUPAC2-[(3-fluoro-5-methylanilino)methyl]pyridine-3-carboxylic acid
SMILESCc1cc(F)cc(NCc2ncccc2C(=O)O)c1
InChIInChI=1S/C14H13FN2O2/c1-9-5-10(15)7-11(6-9)17-8-13-12(14(18)19)3-2-4-16-13/h2-7,17H,8H2,1H3,(H,18,19)
InChIKeyNJDISHXSEFCQKZ-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.84
Rot. Bonds4

About 2-[(3-fluoro-5-methylanilino)methyl]pyridine-3-carboxylic acid

2-[(3-fluoro-5-methylanilino)methyl]pyridine-3-carboxylic acid (PubChem CID 114198744) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 2-[(3-fluoro-5-methylanilino)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-fluoro-5-methylanilino)methyl]pyridine-3-carboxylic acid
PubChem CID114198744
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name2-[(3-fluoro-5-methylanilino)methyl]pyridine-3-carboxylic acid
SMILESCc1cc(F)cc(NCc2ncccc2C(=O)O)c1
InChIInChI=1S/C14H13FN2O2/c1-9-5-10(15)7-11(6-9)17-8-13-12(14(18)19)3-2-4-16-13/h2-7,17H,8H2,1H3,(H,18,19)
InChIKeyNJDISHXSEFCQKZ-UHFFFAOYSA-N
XLogP2.84
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chloro-3-fluoroanilino)methyl]pyridine-3-carboxylic acid
CID 114198674
2-[(3-fluoro-2-iodoanilino)methyl]pyridine-3-carboxylic acid
CID 114260572
2-[2-[(3-fluoro-5-methylanilino)methyl]phenyl]acetic acid
CID 115462142
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-fluoro-5-methylaniline
CID 103172567
2-[(2-bromo-5-chloroanilino)methyl]pyridine-3-carboxylic acid
CID 114198763
2-[(2-fluoro-5-methylphenoxy)methyl]pyridine-3-carboxylic acid
CID 114198283
2-[(3-bromo-5-methylanilino)methyl]benzoic acid
CID 107584215
2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-3-carboxylic acid
CID 114198834
2-(chloromethyl)pyridine-3-carboxylic acid
CID 19829123
2-[(3-ethyl-2-pyridinyl)methylamino]-3-methylbenzoic acid
CID 107112351
2-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-3-carboxylic acid
CID 114198906
2-(2-methylpropyl)pyridine-3-carboxylic acid
CID 83914927

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-5-methylanilino)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(3-fluoro-5-methylanilino)methyl]pyridine-3-carboxylic acid (CID 114198744) is 2-[(3-fluoro-5-methylanilino)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3-fluoro-5-methylanilino)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3-fluoro-5-methylanilino)methyl]pyridine-3-carboxylic acid is Cc1cc(F)cc(NCc2ncccc2C(=O)O)c1.
What is the InChIKey of 2-[(3-fluoro-5-methylanilino)methyl]pyridine-3-carboxylic acid?
The InChIKey is NJDISHXSEFCQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-9-5-10(15)7-11(6-9)17-8-13-12(14(18)19)3-2-4-16-13/h2-7,17H,8H2,1H3,(H,18,19).
What are the key properties of 2-[(3-fluoro-5-methylanilino)methyl]pyridine-3-carboxylic acid?
2-[(3-fluoro-5-methylanilino)methyl]pyridine-3-carboxylic acid has a molecular weight of 260.27 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-5-methylanilino)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114198744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).