6-(N-butylanilino)-3-chloropyridine-2-carboxylic acid

C16H17ClN2O2 — CID 64584230

IUPAC6-(N-butylanilino)-3-chloropyridine-2-carboxylic acid
SMILESCCCCN(c1ccccc1)c1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C16H17ClN2O2/c1-2-3-11-19(12-7-5-4-6-8-12)14-10-9-13(17)15(18-14)16(20)21/h4-10H,2-3,11H2,1H3,(H,20,21)
InChIKeyZSAPOGNBCQPUGI-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.37
Rot. Bonds6

About 6-(N-butylanilino)-3-chloropyridine-2-carboxylic acid

6-(N-butylanilino)-3-chloropyridine-2-carboxylic acid (PubChem CID 64584230) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 6-(N-butylanilino)-3-chloropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(N-butylanilino)-3-chloropyridine-2-carboxylic acid
PubChem CID64584230
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name6-(N-butylanilino)-3-chloropyridine-2-carboxylic acid
SMILESCCCCN(c1ccccc1)c1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C16H17ClN2O2/c1-2-3-11-19(12-7-5-4-6-8-12)14-10-9-13(17)15(18-14)16(20)21/h4-10H,2-3,11H2,1H3,(H,20,21)
InChIKeyZSAPOGNBCQPUGI-UHFFFAOYSA-N
XLogP4.37
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-5-chloro-6-(methylaminomethyl)-N-phenylpyridin-2-amine
CID 64586601
3-(N-butylanilino)pyrazine-2-carboxylic acid
CID 64584671
2-(N-butylanilino)benzoic acid
CID 64586364
3-chloro-6-[ethyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid
CID 60980382
3-chloro-6-[methyl(2-methylbutan-2-yl)amino]pyridine-2-carboxylic acid
CID 63958296
3-chloro-6-[methyl(pentan-3-yl)amino]pyridine-2-carboxylic acid
CID 43571486
N-butyl-N-phenylaniline;hydrobromide
CID 70419495
2-chloro-4-N,6-N-didodecyl-4-N,6-N-diphenylpyrimidine-4,6-diamine
CID 154412006
1-[4-(N-butylanilino)-3-chlorophenyl]ethanone
CID 64584427
6-butylsulfanyl-3-chloropyridine-2-carboxylic acid
CID 43615633
3-chloro-6-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyridine-2-carboxylic acid
CID 61452600
2-(N-butylanilino)-5-methylbenzoic acid
CID 64586948

Frequently Asked Questions

What is the IUPAC name of 6-(N-butylanilino)-3-chloropyridine-2-carboxylic acid?
The IUPAC name of 6-(N-butylanilino)-3-chloropyridine-2-carboxylic acid (CID 64584230) is 6-(N-butylanilino)-3-chloropyridine-2-carboxylic acid.
What is the SMILES notation for 6-(N-butylanilino)-3-chloropyridine-2-carboxylic acid?
The canonical SMILES for 6-(N-butylanilino)-3-chloropyridine-2-carboxylic acid is CCCCN(c1ccccc1)c1ccc(Cl)c(C(=O)O)n1.
What is the InChIKey of 6-(N-butylanilino)-3-chloropyridine-2-carboxylic acid?
The InChIKey is ZSAPOGNBCQPUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-2-3-11-19(12-7-5-4-6-8-12)14-10-9-13(17)15(18-14)16(20)21/h4-10H,2-3,11H2,1H3,(H,20,21).
What are the key properties of 6-(N-butylanilino)-3-chloropyridine-2-carboxylic acid?
6-(N-butylanilino)-3-chloropyridine-2-carboxylic acid has a molecular weight of 304.78 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-butylanilino)-3-chloropyridine-2-carboxylic acid is sourced from PubChem (CID 64584230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).