5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]pyridine-2-carboxylic acid

C16H13FN2O3 — CID 119136012

IUPAC5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(NC1(c2ccccc2F)CC1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C16H13FN2O3/c17-12-4-2-1-3-11(12)16(7-8-16)19-14(20)10-5-6-13(15(21)22)18-9-10/h1-6,9H,7-8H2,(H,19,20)(H,21,22)
InChIKeyQDKFKMPYWWFHDC-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.34
Rot. Bonds4

About 5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]pyridine-2-carboxylic acid

5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 119136012) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is 5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID119136012
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(NC1(c2ccccc2F)CC1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C16H13FN2O3/c17-12-4-2-1-3-11(12)16(7-8-16)19-14(20)10-5-6-13(15(21)22)18-9-10/h1-6,9H,7-8H2,(H,19,20)(H,21,22)
InChIKeyQDKFKMPYWWFHDC-UHFFFAOYSA-N
XLogP2.34
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-fluorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 15121186
5-[(2,6-difluorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414716
5-cyano-N-[1-(2-fluorophenyl)cyclobutyl]-4-methylpyridine-2-carboxamide
CID 146092931
N-[1-(2-fluorophenyl)cyclopropyl]-6-methylpyridine-2-carboxamide
CID 110462508
2-fluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide
CID 110444138
5-[[1-(2,4-difluorophenyl)cyclobutyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120690311
N-[3-(2-fluorophenyl)oxetan-3-yl]-5-methylpyrazine-2-carboxamide
CID 138024731
3-chloro-4-cyano-N-[1-(2-fluorophenyl)cyclopropyl]benzamide
CID 146090668
4-[[1-(2-fluorophenyl)cyclopropyl]amino]-4-oxobutanoic acid
CID 110465781
N-[1-(2-fluorophenyl)cyclopropyl]propanamide
CID 110477459
5-[(1-methylcyclopropyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 103722129
1-[1-(2-fluorophenyl)cyclopropyl]-3-pyridin-4-ylurea
CID 110469651

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]pyridine-2-carboxylic acid (CID 119136012) is 5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]pyridine-2-carboxylic acid is O=C(NC1(c2ccccc2F)CC1)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is QDKFKMPYWWFHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c17-12-4-2-1-3-11(12)16(7-8-16)19-14(20)10-5-6-13(15(21)22)18-9-10/h1-6,9H,7-8H2,(H,19,20)(H,21,22).
What are the key properties of 5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]pyridine-2-carboxylic acid?
5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 300.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119136012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).