(2R)-2-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid

C12H14Cl2N2O3 — CID 78975722

IUPAC(2R)-2-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1cnc(Cl)c(Cl)c1)C(=O)O
InChIInChI=1S/C12H14Cl2N2O3/c1-6(2)3-9(12(18)19)16-11(17)7-4-8(13)10(14)15-5-7/h4-6,9H,3H2,1-2H3,(H,16,17)(H,18,19)/t9-/m1/s1
InChIKeyVRLNOXSORGXQNR-SECBINFHSA-N
MW305.16 g/mol
LogP2.62
Rot. Bonds5

About (2R)-2-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid

(2R)-2-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 78975722) has the molecular formula C12H14Cl2N2O3 and a molecular weight of 305.16 g/mol. Its IUPAC name is (2R)-2-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
PubChem CID78975722
Molecular FormulaC12H14Cl2N2O3
Molecular Weight305.16 g/mol
Exact Mass304.04
IUPAC Name(2R)-2-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1cnc(Cl)c(Cl)c1)C(=O)O
InChIInChI=1S/C12H14Cl2N2O3/c1-6(2)3-9(12(18)19)16-11(17)7-4-8(13)10(14)15-5-7/h4-6,9H,3H2,1-2H3,(H,16,17)(H,18,19)/t9-/m1/s1
InChIKeyVRLNOXSORGXQNR-SECBINFHSA-N
XLogP2.62
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(3,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 78975640
(2S)-2-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 82832858
5,6-dichloro-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
CID 79027668
(2R)-2-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 114036625
(2S)-2-[(4-amino-3-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 59813104
5-[(5,6-dichloropyridine-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682536
4-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 43353324
(2S)-2-[(3-bromo-4-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 114025710
5,6-dichloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-carboxamide
CID 7987043
[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 55397258
5,6-dichloro-N-(1-cyclopropylethyl)pyridine-3-carboxamide
CID 22830772
5,6-dichloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 93040790

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid (CID 78975722) is (2R)-2-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)c1cnc(Cl)c(Cl)c1)C(=O)O.
What is the InChIKey of (2R)-2-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is VRLNOXSORGXQNR-SECBINFHSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3/c1-6(2)3-9(12(18)19)16-11(17)7-4-8(13)10(14)15-5-7/h4-6,9H,3H2,1-2H3,(H,16,17)(H,18,19)/t9-/m1/s1.
What are the key properties of (2R)-2-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid?
(2R)-2-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 305.16 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 78975722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).