2-[5-chloro-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetic acid

C9H5ClF2N2O2 — CID 130071413

IUPAC2-[5-chloro-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetic acid
SMILESN#Cc1c(CC(=O)O)ncc(Cl)c1C(F)F
InChIInChI=1S/C9H5ClF2N2O2/c10-5-3-14-6(1-7(15)16)4(2-13)8(5)9(11)12/h3,9H,1H2,(H,15,16)
InChIKeyNEFYVBQTQYKDSC-UHFFFAOYSA-N
MW246.60 g/mol
LogP2.17
Rot. Bonds3

About 2-[5-chloro-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetic acid

2-[5-chloro-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetic acid (PubChem CID 130071413) has the molecular formula C9H5ClF2N2O2 and a molecular weight of 246.60 g/mol. Its IUPAC name is 2-[5-chloro-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-chloro-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetic acid
PubChem CID130071413
Molecular FormulaC9H5ClF2N2O2
Molecular Weight246.60 g/mol
Exact Mass246.00
IUPAC Name2-[5-chloro-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetic acid
SMILESN#Cc1c(CC(=O)O)ncc(Cl)c1C(F)F
InChIInChI=1S/C9H5ClF2N2O2/c10-5-3-14-6(1-7(15)16)4(2-13)8(5)9(11)12/h3,9H,1H2,(H,15,16)
InChIKeyNEFYVBQTQYKDSC-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-[3-cyano-4-(difluoromethyl)-5-nitro-2-pyridinyl]acetic acid
CID 134672480
2-[4-bromo-3-cyano-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118805503
2-[5-chloro-2-(chloromethyl)-4-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130075781
2-[4-cyano-3-(difluoromethyl)-5-nitro-2-pyridinyl]acetic acid
CID 118833612
methyl 2-[5-chloro-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134674119
2-[4-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 118799469
2-[3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130075764
2-[5-cyano-4-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid
CID 134684158
methyl 2-[3-cyano-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 133107695
methyl 2-[5-amino-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 133087324
5-chloro-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
CID 130070958
2-[2-bromo-3-cyano-5-(difluoromethyl)-4-pyridinyl]acetic acid
CID 119024525

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-chloro-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetic acid (CID 130071413) is 2-[5-chloro-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-chloro-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-chloro-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetic acid is N#Cc1c(CC(=O)O)ncc(Cl)c1C(F)F.
What is the InChIKey of 2-[5-chloro-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetic acid?
The InChIKey is NEFYVBQTQYKDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2N2O2/c10-5-3-14-6(1-7(15)16)4(2-13)8(5)9(11)12/h3,9H,1H2,(H,15,16).
What are the key properties of 2-[5-chloro-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetic acid?
2-[5-chloro-3-cyano-4-(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-[5-chloro-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 130071413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).