2-(cyclopentylmethylamino)-3-fluoropyridine-4-carboxylic acid

C12H15FN2O2 — CID 105381902

IUPAC2-(cyclopentylmethylamino)-3-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCC2CCCC2)c1F
InChIInChI=1S/C12H15FN2O2/c13-10-9(12(16)17)5-6-14-11(10)15-7-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,14,15)(H,16,17)
InChIKeyXBZRATZMKUCWQX-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.52
Rot. Bonds4

About 2-(cyclopentylmethylamino)-3-fluoropyridine-4-carboxylic acid

2-(cyclopentylmethylamino)-3-fluoropyridine-4-carboxylic acid (PubChem CID 105381902) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-(cyclopentylmethylamino)-3-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopentylmethylamino)-3-fluoropyridine-4-carboxylic acid
PubChem CID105381902
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name2-(cyclopentylmethylamino)-3-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCC2CCCC2)c1F
InChIInChI=1S/C12H15FN2O2/c13-10-9(12(16)17)5-6-14-11(10)15-7-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,14,15)(H,16,17)
InChIKeyXBZRATZMKUCWQX-UHFFFAOYSA-N
XLogP2.52
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(Propan-2-yl)amino]pyridine-3-carboxylic acid
CID 28400003
6-(Cyclopropylamino)pyridine-3-carboxylic acid
CID 28400038
2-Aminopyridine-4-carboxylic acid
CID 278396
2-(Benzylamino)nicotinic acid
CID 214596
6-(Methylamino)pyridine-3-carboxylic acid
CID 22271415
2-(Morpholin-4-yl)isonicotinic acid
CID 2762479
6-(Cyclopentylamino)nicotinic acid
CID 1447952
6-(Ethylamino)pyridine-3-carboxylic acid
CID 11744994
6-(Prop-2-enylamino)pyridine-3-carboxylic acid
CID 28399894
6-(Propylamino)nicotinic acid
CID 28399946
6-(Butylamino)pyridine-3-carboxylic acid
CID 28400380
Nicotinic acid, 2-(cyclohexylamino)-
CID 215537

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylamino)-3-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-(cyclopentylmethylamino)-3-fluoropyridine-4-carboxylic acid (CID 105381902) is 2-(cyclopentylmethylamino)-3-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(cyclopentylmethylamino)-3-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-(cyclopentylmethylamino)-3-fluoropyridine-4-carboxylic acid is O=C(O)c1ccnc(NCC2CCCC2)c1F.
What is the InChIKey of 2-(cyclopentylmethylamino)-3-fluoropyridine-4-carboxylic acid?
The InChIKey is XBZRATZMKUCWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-10-9(12(16)17)5-6-14-11(10)15-7-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,14,15)(H,16,17).
What are the key properties of 2-(cyclopentylmethylamino)-3-fluoropyridine-4-carboxylic acid?
2-(cyclopentylmethylamino)-3-fluoropyridine-4-carboxylic acid has a molecular weight of 238.26 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylamino)-3-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 105381902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).