2-chloro-6-methyl-4-propoxypyridine-3-carboxylic acid

C10H12ClNO3 — CID 87496679

IUPAC2-chloro-6-methyl-4-propoxypyridine-3-carboxylic acid
SMILESCCCOc1cc(C)nc(Cl)c1C(=O)O
InChIInChI=1S/C10H12ClNO3/c1-3-4-15-7-5-6(2)12-9(11)8(7)10(13)14/h5H,3-4H2,1-2H3,(H,13,14)
InChIKeyDLMIPKSHUHUCMX-UHFFFAOYSA-N
MW229.66 g/mol
LogP2.53
Rot. Bonds4

About 2-chloro-6-methyl-4-propoxypyridine-3-carboxylic acid

2-chloro-6-methyl-4-propoxypyridine-3-carboxylic acid (PubChem CID 87496679) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 2-chloro-6-methyl-4-propoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-methyl-4-propoxypyridine-3-carboxylic acid
PubChem CID87496679
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name2-chloro-6-methyl-4-propoxypyridine-3-carboxylic acid
SMILESCCCOc1cc(C)nc(Cl)c1C(=O)O
InChIInChI=1S/C10H12ClNO3/c1-3-4-15-7-5-6(2)12-9(11)8(7)10(13)14/h5H,3-4H2,1-2H3,(H,13,14)
InChIKeyDLMIPKSHUHUCMX-UHFFFAOYSA-N
XLogP2.53
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyl-4-pentoxypyridine-3-carboxylic acid
CID 81053245
3-chloro-2,5-dimethyl-6-propoxybenzoic acid
CID 82266755
6-methyl-2-propoxypyrimidine-4-carboxylic acid
CID 55269382
4-(3-methoxy-3-methylbutoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 106668269
(E)-3-(3-chloro-2,4-dimethyl-6-propoxyphenyl)but-2-enoic acid
CID 83958664
2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylic acid
CID 118996276
methyl 2-chloro-6-methyl-4-pentan-3-yloxypyridine-3-carboxylate
CID 24806871
2,6-dimethyl-4-(3-pyridin-4-ylpropoxy)pyridine-3-carboxylic acid
CID 81037807
6-methyl-2-propoxypyridine-3-carboxylic acid
CID 62702426
4,6-dimethyl-2-(2-propoxyethylsulfanyl)pyridine-3-carboxylic acid
CID 106449560
2,6-dimethyl-4-phenylmethoxypyridine-3-carboxylic acid
CID 81053468
2-chloro-6-propoxypyridine-4-carboxylic acid
CID 43247945

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-4-propoxypyridine-3-carboxylic acid?
The IUPAC name of 2-chloro-6-methyl-4-propoxypyridine-3-carboxylic acid (CID 87496679) is 2-chloro-6-methyl-4-propoxypyridine-3-carboxylic acid.
What is the SMILES notation for 2-chloro-6-methyl-4-propoxypyridine-3-carboxylic acid?
The canonical SMILES for 2-chloro-6-methyl-4-propoxypyridine-3-carboxylic acid is CCCOc1cc(C)nc(Cl)c1C(=O)O.
What is the InChIKey of 2-chloro-6-methyl-4-propoxypyridine-3-carboxylic acid?
The InChIKey is DLMIPKSHUHUCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-3-4-15-7-5-6(2)12-9(11)8(7)10(13)14/h5H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-chloro-6-methyl-4-propoxypyridine-3-carboxylic acid?
2-chloro-6-methyl-4-propoxypyridine-3-carboxylic acid has a molecular weight of 229.66 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-4-propoxypyridine-3-carboxylic acid is sourced from PubChem (CID 87496679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).