2-fluoro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid

C14H12FN3O3 — CID 61191402

IUPAC2-fluoro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
SMILESO=C(NCc1ccccn1)Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C14H12FN3O3/c15-12-5-4-9(7-11(12)13(19)20)18-14(21)17-8-10-3-1-2-6-16-10/h1-7H,8H2,(H,19,20)(H2,17,18,21)
InChIKeyOHLNWJOZYCAUBE-UHFFFAOYSA-N
MW289.27 g/mol
LogP2.24
Rot. Bonds4

About 2-fluoro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid

2-fluoro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid (PubChem CID 61191402) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is 2-fluoro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
PubChem CID61191402
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC Name2-fluoro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
SMILESO=C(NCc1ccccn1)Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C14H12FN3O3/c15-12-5-4-9(7-11(12)13(19)20)18-14(21)17-8-10-3-1-2-6-16-10/h1-7H,8H2,(H,19,20)(H2,17,18,21)
InChIKeyOHLNWJOZYCAUBE-UHFFFAOYSA-N
XLogP2.24
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
CID 61191580
2-fluoro-5-(pyridin-4-ylmethylcarbamoylamino)benzoic acid
CID 61196451
5-hydroxy-2-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
CID 61405707
1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 971285
1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2897923
N,2-dimethyl-N-propan-2-yl-5-(pyridin-2-ylmethylcarbamoylamino)benzamide
CID 99839674
5-[(2-amino-2-oxoethyl)carbamoylamino]-2-fluorobenzoic acid
CID 61187824
1-(1,2,3-benzothiadiazol-6-yl)-3-(pyridin-2-ylmethyl)urea
CID 71583724
1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(pyridin-2-ylmethyl)urea
CID 24664385
5-(3-aminopropylcarbamoylamino)-2-fluorobenzoic acid
CID 62273492
2-(2,5-difluorophenyl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide
CID 94285001
2-fluoro-4-(3-pyridin-2-ylpropanoylamino)benzoic acid
CID 107526552

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid?
The IUPAC name of 2-fluoro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid (CID 61191402) is 2-fluoro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid.
What is the SMILES notation for 2-fluoro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid?
The canonical SMILES for 2-fluoro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid is O=C(NCc1ccccn1)Nc1ccc(F)c(C(=O)O)c1.
What is the InChIKey of 2-fluoro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid?
The InChIKey is OHLNWJOZYCAUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c15-12-5-4-9(7-11(12)13(19)20)18-14(21)17-8-10-3-1-2-6-16-10/h1-7H,8H2,(H,19,20)(H2,17,18,21).
What are the key properties of 2-fluoro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid?
2-fluoro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid has a molecular weight of 289.27 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid is sourced from PubChem (CID 61191402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).