3-butan-2-yl-5-chloropyridine-2-carboxylic acid

C10H12ClNO2 — CID 66931655

IUPAC3-butan-2-yl-5-chloropyridine-2-carboxylic acid
SMILESCCC(C)c1cc(Cl)cnc1C(=O)O
InChIInChI=1S/C10H12ClNO2/c1-3-6(2)8-4-7(11)5-12-9(8)10(13)14/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyFHHIUMALHAHLHK-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.95
Rot. Bonds3

About 3-butan-2-yl-5-chloropyridine-2-carboxylic acid

3-butan-2-yl-5-chloropyridine-2-carboxylic acid (PubChem CID 66931655) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 3-butan-2-yl-5-chloropyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-butan-2-yl-5-chloropyridine-2-carboxylic acid
PubChem CID66931655
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name3-butan-2-yl-5-chloropyridine-2-carboxylic acid
SMILESCCC(C)c1cc(Cl)cnc1C(=O)O
InChIInChI=1S/C10H12ClNO2/c1-3-6(2)8-4-7(11)5-12-9(8)10(13)14/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyFHHIUMALHAHLHK-UHFFFAOYSA-N
XLogP2.95
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130095648
5-chloro-3-propylpyridine-2-carboxylic acid
CID 84721153
3-butan-2-yl-5-propan-2-yl-2-prop-1-en-2-ylpyridine
CID 170059638
2-butan-2-yl-6-[1-(3-butan-2-yl-5-chloro-2-hydroxyphenyl)propyl]-4-chlorophenol
CID 57082444
(1R)-1-(2,5-dichloro-3-pyridinyl)propan-1-amine
CID 130664333
5-chloro-2-ethoxycarbonylpyridine-3-carboxylic acid
CID 131431578
5-chloro-3-[2-(dimethylamino)acetyl]pyridine-2-carboxylic acid
CID 170895849
3-butan-2-yl-5-chloropyridine
CID 123919361
5-(chloromethyl)-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098409
5-[(1S)-1-aminopropyl]-3-bromopyridine-2-carboxylic acid
CID 130642185
5-[(1R)-1-aminopropyl]-3-fluoropyridine-2-carboxylic acid
CID 131052205
2-butan-2-yl-4-(chloromethyl)benzoic acid
CID 175154137

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-5-chloropyridine-2-carboxylic acid?
The IUPAC name of 3-butan-2-yl-5-chloropyridine-2-carboxylic acid (CID 66931655) is 3-butan-2-yl-5-chloropyridine-2-carboxylic acid.
What is the SMILES notation for 3-butan-2-yl-5-chloropyridine-2-carboxylic acid?
The canonical SMILES for 3-butan-2-yl-5-chloropyridine-2-carboxylic acid is CCC(C)c1cc(Cl)cnc1C(=O)O.
What is the InChIKey of 3-butan-2-yl-5-chloropyridine-2-carboxylic acid?
The InChIKey is FHHIUMALHAHLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-3-6(2)8-4-7(11)5-12-9(8)10(13)14/h4-6H,3H2,1-2H3,(H,13,14).
What are the key properties of 3-butan-2-yl-5-chloropyridine-2-carboxylic acid?
3-butan-2-yl-5-chloropyridine-2-carboxylic acid has a molecular weight of 213.66 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-5-chloropyridine-2-carboxylic acid is sourced from PubChem (CID 66931655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).