3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid

C9H10ClNO2 — CID 139894647

IUPAC3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid
SMILESCC(Cc1cccnc1Cl)C(=O)O
InChIInChI=1S/C9H10ClNO2/c1-6(9(12)13)5-7-3-2-4-11-8(7)10/h2-4,6H,5H2,1H3,(H,12,13)
InChIKeyQMEVDMRUHSJOIK-UHFFFAOYSA-N
MW199.64 g/mol
LogP2.00
Rot. Bonds3

About 3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid

3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid (PubChem CID 139894647) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid
PubChem CID139894647
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid
SMILESCC(Cc1cccnc1Cl)C(=O)O
InChIInChI=1S/C9H10ClNO2/c1-6(9(12)13)5-7-3-2-4-11-8(7)10/h2-4,6H,5H2,1H3,(H,12,13)
InChIKeyQMEVDMRUHSJOIK-UHFFFAOYSA-N
XLogP2.00
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(2-chloro-3-pyridinyl)propanoic acid
CID 22326364
3-(2-ethoxy-3-pyridinyl)-2-methylpropanoic acid
CID 83884320
(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 40999440
(2S)-3-(2-chloro-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 121233378
3-(2-chloro-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 163143488
2-amino-3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid
CID 130039616
3-[(2-chloro-3-pyridinyl)methylsulfanyl]butanoic acid
CID 66138944
3-(3-chloroimidazo[1,2-a]pyridin-8-yl)-2-methylpropanoic acid
CID 83842801
2-[(2-chloro-3-pyridinyl)methylsulfanyl]-3-phenylpropanoic acid
CID 62472338
3-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 55008419
3-(3-chloro-2-methoxyphenyl)-2-methylpropanoic acid
CID 82618683
3-[(2-chloro-3-pyridinyl)-prop-2-enylamino]-2-methylpropanoic acid
CID 82317724

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid?
The IUPAC name of 3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid (CID 139894647) is 3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid is CC(Cc1cccnc1Cl)C(=O)O.
What is the InChIKey of 3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid?
The InChIKey is QMEVDMRUHSJOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-6(9(12)13)5-7-3-2-4-11-8(7)10/h2-4,6H,5H2,1H3,(H,12,13).
What are the key properties of 3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid?
3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid has a molecular weight of 199.64 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid is sourced from PubChem (CID 139894647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).