3-chloro-6-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid

C12H11ClN2O3 — CID 54955037

IUPAC3-chloro-6-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(NCCc2ccco2)ccc1Cl
InChIInChI=1S/C12H11ClN2O3/c13-9-3-4-10(15-11(9)12(16)17)14-6-5-8-2-1-7-18-8/h1-4,7H,5-6H2,(H,14,15)(H,16,17)
InChIKeyHBFHLNZJLAIHPY-UHFFFAOYSA-N
MW266.68 g/mol
LogP2.68
Rot. Bonds5

About 3-chloro-6-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid

3-chloro-6-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid (PubChem CID 54955037) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 3-chloro-6-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid
PubChem CID54955037
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name3-chloro-6-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(NCCc2ccco2)ccc1Cl
InChIInChI=1S/C12H11ClN2O3/c13-9-3-4-10(15-11(9)12(16)17)14-6-5-8-2-1-7-18-8/h1-4,7H,5-6H2,(H,14,15)(H,16,17)
InChIKeyHBFHLNZJLAIHPY-UHFFFAOYSA-N
XLogP2.68
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-aminoethylamino)-3-chloropyridine-2-carboxylic acid
CID 61402986
3-chloro-6-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid
CID 106261584
2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid
CID 80569145
3-chloro-6-(5-methoxypentylamino)pyridine-2-carboxylic acid
CID 114131082
5-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 115490683
3-chloro-6-[(2-methylphenyl)methylamino]pyridine-2-carboxylic acid
CID 54944509
6-chloro-N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767375
3-chloro-6-(2-phenylpropylamino)pyridine-2-carboxylic acid
CID 104591662
3,5-dichloro-6-N-[2-(furan-2-yl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 102756901
2-[2-(furan-2-yl)ethylamino]-4-methoxybenzoic acid
CID 81305282
3-chloro-6-(2,6-dichloroanilino)pyridine-2-carboxylic acid
CID 65499398
methyl 2-[2-(furan-2-yl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 113306858

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid (CID 54955037) is 3-chloro-6-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid is O=C(O)c1nc(NCCc2ccco2)ccc1Cl.
What is the InChIKey of 3-chloro-6-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid?
The InChIKey is HBFHLNZJLAIHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c13-9-3-4-10(15-11(9)12(16)17)14-6-5-8-2-1-7-18-8/h1-4,7H,5-6H2,(H,14,15)(H,16,17).
What are the key properties of 3-chloro-6-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid?
3-chloro-6-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid has a molecular weight of 266.68 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 54955037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).