5-chloro-3-propylpyridine-2-carboxylic acid

C9H10ClNO2 — CID 84721153

IUPAC5-chloro-3-propylpyridine-2-carboxylic acid
SMILESCCCc1cc(Cl)cnc1C(=O)O
InChIInChI=1S/C9H10ClNO2/c1-2-3-6-4-7(10)5-11-8(6)9(12)13/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyKOBFCTIUSRVVCH-UHFFFAOYSA-N
MW199.64 g/mol
LogP2.39
Rot. Bonds3

About 5-chloro-3-propylpyridine-2-carboxylic acid

5-chloro-3-propylpyridine-2-carboxylic acid (PubChem CID 84721153) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 5-chloro-3-propylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3-propylpyridine-2-carboxylic acid
PubChem CID84721153
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name5-chloro-3-propylpyridine-2-carboxylic acid
SMILESCCCc1cc(Cl)cnc1C(=O)O
InChIInChI=1S/C9H10ClNO2/c1-2-3-6-4-7(10)5-11-8(6)9(12)13/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyKOBFCTIUSRVVCH-UHFFFAOYSA-N
XLogP2.39
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Fusaric Acid
CID 3442
3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 2821908
3,4,5-Trichloropyridine-2-carboxylic acid
CID 225521
5-Ethylquinolinic acid
CID 113606
2-Carboxy-3-pyridineacetic acid
CID 3080554
4-Chloropyridine-2-carboxylic acid
CID 230890
3-Methylpicolinic acid
CID 268757
5-Methylpicolinic acid
CID 199575
5-Ethylpicolinic acid
CID 120375
Fusarate
CID 1549029
Picolinic acid, 5-pentyl-
CID 212527
Picolinic acid, 5-heptyl-
CID 212529

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-propylpyridine-2-carboxylic acid?
The IUPAC name of 5-chloro-3-propylpyridine-2-carboxylic acid (CID 84721153) is 5-chloro-3-propylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-chloro-3-propylpyridine-2-carboxylic acid?
The canonical SMILES for 5-chloro-3-propylpyridine-2-carboxylic acid is CCCc1cc(Cl)cnc1C(=O)O.
What is the InChIKey of 5-chloro-3-propylpyridine-2-carboxylic acid?
The InChIKey is KOBFCTIUSRVVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-2-3-6-4-7(10)5-11-8(6)9(12)13/h4-5H,2-3H2,1H3,(H,12,13).
What are the key properties of 5-chloro-3-propylpyridine-2-carboxylic acid?
5-chloro-3-propylpyridine-2-carboxylic acid has a molecular weight of 199.64 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-propylpyridine-2-carboxylic acid is sourced from PubChem (CID 84721153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).