6-[(3R,4R)-3-carboxy-4-cyclopropylpyrrolidin-1-yl]-5-chloropyridine-3-carboxylic acid

C14H15ClN2O4 — CID 133118952

IUPAC6-[(3R,4R)-3-carboxy-4-cyclopropylpyrrolidin-1-yl]-5-chloropyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)c(Cl)c1
InChIInChI=1S/C14H15ClN2O4/c15-11-3-8(13(18)19)4-16-12(11)17-5-9(7-1-2-7)10(6-17)14(20)21/h3-4,7,9-10H,1-2,5-6H2,(H,18,19)(H,20,21)/t9-,10+/m1/s1
InChIKeyQNYIQFOZFAPJTJ-ZJUUUORDSA-N
MW310.74 g/mol
LogP1.98
Rot. Bonds4

About 6-[(3R,4R)-3-carboxy-4-cyclopropylpyrrolidin-1-yl]-5-chloropyridine-3-carboxylic acid

6-[(3R,4R)-3-carboxy-4-cyclopropylpyrrolidin-1-yl]-5-chloropyridine-3-carboxylic acid (PubChem CID 133118952) has the molecular formula C14H15ClN2O4 and a molecular weight of 310.74 g/mol. Its IUPAC name is 6-[(3R,4R)-3-carboxy-4-cyclopropylpyrrolidin-1-yl]-5-chloropyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3R,4R)-3-carboxy-4-cyclopropylpyrrolidin-1-yl]-5-chloropyridine-3-carboxylic acid
PubChem CID133118952
Molecular FormulaC14H15ClN2O4
Molecular Weight310.74 g/mol
Exact Mass310.07
IUPAC Name6-[(3R,4R)-3-carboxy-4-cyclopropylpyrrolidin-1-yl]-5-chloropyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)c(Cl)c1
InChIInChI=1S/C14H15ClN2O4/c15-11-3-8(13(18)19)4-16-12(11)17-5-9(7-1-2-7)10(6-17)14(20)21/h3-4,7,9-10H,1-2,5-6H2,(H,18,19)(H,20,21)/t9-,10+/m1/s1
InChIKeyQNYIQFOZFAPJTJ-ZJUUUORDSA-N
XLogP1.98
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 72845638
5-chloro-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxylic acid;hydrochloride
CID 153354859
6-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-5-chloropyridine-3-carboxylic acid
CID 133116219
5-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43590552
5-chloro-6-(3,4-dimethylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 55216040
5-chloro-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 162444888
6-[(3aR,7aS)-5-methyl-4-oxo-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl]-5-chloropyridine-3-carboxylic acid
CID 138386904
5-chloro-6-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 155504715
5-chloro-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 19869906
5-chloro-6-(4-propylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 55049889
5-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 63537204
5-chloro-6-(2-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 43187330

Frequently Asked Questions

What is the IUPAC name of 6-[(3R,4R)-3-carboxy-4-cyclopropylpyrrolidin-1-yl]-5-chloropyridine-3-carboxylic acid?
The IUPAC name of 6-[(3R,4R)-3-carboxy-4-cyclopropylpyrrolidin-1-yl]-5-chloropyridine-3-carboxylic acid (CID 133118952) is 6-[(3R,4R)-3-carboxy-4-cyclopropylpyrrolidin-1-yl]-5-chloropyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3R,4R)-3-carboxy-4-cyclopropylpyrrolidin-1-yl]-5-chloropyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3R,4R)-3-carboxy-4-cyclopropylpyrrolidin-1-yl]-5-chloropyridine-3-carboxylic acid is O=C(O)c1cnc(N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)c(Cl)c1.
What is the InChIKey of 6-[(3R,4R)-3-carboxy-4-cyclopropylpyrrolidin-1-yl]-5-chloropyridine-3-carboxylic acid?
The InChIKey is QNYIQFOZFAPJTJ-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H15ClN2O4/c15-11-3-8(13(18)19)4-16-12(11)17-5-9(7-1-2-7)10(6-17)14(20)21/h3-4,7,9-10H,1-2,5-6H2,(H,18,19)(H,20,21)/t9-,10+/m1/s1.
What are the key properties of 6-[(3R,4R)-3-carboxy-4-cyclopropylpyrrolidin-1-yl]-5-chloropyridine-3-carboxylic acid?
6-[(3R,4R)-3-carboxy-4-cyclopropylpyrrolidin-1-yl]-5-chloropyridine-3-carboxylic acid has a molecular weight of 310.74 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R,4R)-3-carboxy-4-cyclopropylpyrrolidin-1-yl]-5-chloropyridine-3-carboxylic acid is sourced from PubChem (CID 133118952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).