2-[4-chloro-5-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid

C9H5ClF2N2O2 — CID 130071417

IUPAC2-[4-chloro-5-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
SMILESN#Cc1c(Cl)cc(CC(=O)O)nc1C(F)F
InChIInChI=1S/C9H5ClF2N2O2/c10-6-1-4(2-7(15)16)14-8(9(11)12)5(6)3-13/h1,9H,2H2,(H,15,16)
InChIKeyUNWCKEFVNLAGRD-UHFFFAOYSA-N
MW246.60 g/mol
LogP2.17
Rot. Bonds3

About 2-[4-chloro-5-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid

2-[4-chloro-5-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid (PubChem CID 130071417) has the molecular formula C9H5ClF2N2O2 and a molecular weight of 246.60 g/mol. Its IUPAC name is 2-[4-chloro-5-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-5-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
PubChem CID130071417
Molecular FormulaC9H5ClF2N2O2
Molecular Weight246.60 g/mol
Exact Mass246.00
IUPAC Name2-[4-chloro-5-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
SMILESN#Cc1c(Cl)cc(CC(=O)O)nc1C(F)F
InChIInChI=1S/C9H5ClF2N2O2/c10-6-1-4(2-7(15)16)14-8(9(11)12)5(6)3-13/h1,9H,2H2,(H,15,16)
InChIKeyUNWCKEFVNLAGRD-UHFFFAOYSA-N
XLogP2.17
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.60
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(aminomethyl)-3-cyano-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 133107162
2-[5-(chloromethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 133106523
2-[5-(aminomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 133106969
2-[5-(bromomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 133106578
2-[4-cyano-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetic acid
CID 130077721
2-[6-(chloromethyl)-4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 133106509
2-[4-(aminomethyl)-5-chloro-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118807335
4-chloro-5-cyano-6-(difluoromethyl)pyridine-2-sulfonamide
CID 118805463
methyl 2-[5-cyano-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134675626
2-[4-(aminomethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118801084
2-[2-(chloromethyl)-3-cyano-6-(difluoromethyl)-4-pyridinyl]acetic acid
CID 118821254
2-[5-chloro-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130071413

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[4-chloro-5-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid (CID 130071417) is 2-[4-chloro-5-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-chloro-5-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-chloro-5-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid is N#Cc1c(Cl)cc(CC(=O)O)nc1C(F)F.
What is the InChIKey of 2-[4-chloro-5-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid?
The InChIKey is UNWCKEFVNLAGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2N2O2/c10-6-1-4(2-7(15)16)14-8(9(11)12)5(6)3-13/h1,9H,2H2,(H,15,16).
What are the key properties of 2-[4-chloro-5-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid?
2-[4-chloro-5-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid has a molecular weight of 246.60 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 130071417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).