chloro 5-cyanopyridine-2-carboxylate

C7H3ClN2O2 — CID 90373029

IUPACchloro 5-cyanopyridine-2-carboxylate
SMILESN#Cc1ccc(C(=O)OCl)nc1
InChIInChI=1S/C7H3ClN2O2/c8-12-7(11)6-2-1-5(3-9)4-10-6/h1-2,4H
InChIKeyDCVBDOXSBBBYIX-UHFFFAOYSA-N
MW182.57 g/mol
LogP1.26
Rot. Bonds1

About chloro 5-cyanopyridine-2-carboxylate

chloro 5-cyanopyridine-2-carboxylate (PubChem CID 90373029) has the molecular formula C7H3ClN2O2 and a molecular weight of 182.57 g/mol. Its IUPAC name is chloro 5-cyanopyridine-2-carboxylate.

Molecular Properties

Compound Namechloro 5-cyanopyridine-2-carboxylate
PubChem CID90373029
Molecular FormulaC7H3ClN2O2
Molecular Weight182.57 g/mol
Exact Mass181.99
IUPAC Namechloro 5-cyanopyridine-2-carboxylate
SMILESN#Cc1ccc(C(=O)OCl)nc1
InChIInChI=1S/C7H3ClN2O2/c8-12-7(11)6-2-1-5(3-9)4-10-6/h1-2,4H
InChIKeyDCVBDOXSBBBYIX-UHFFFAOYSA-N
XLogP1.26
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.57
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-prop-2-ynylpyridine-2-carboxamide
CID 63717306
6-(2-bromoacetyl)pyridine-3-carbonitrile
CID 58497180
5-cyano-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide
CID 103868637
N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63716705
5-cyano-N-(2-methylpropoxy)pyridine-2-carboxamide
CID 103829397
5-cyano-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 63716894
5-cyano-N-(cyclopentylmethyl)pyridine-2-carboxamide
CID 63718941
5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
CID 65043816
N-but-2-ynyl-5-cyanopyridine-2-carboxamide
CID 115866853
5-cyano-N-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 63718471
methyl 5-ethynylpyridine-2-carboxylate
CID 568567
5-cyano-N,N-bis(cyanomethyl)pyridine-2-carboxamide
CID 63718638

Frequently Asked Questions

What is the IUPAC name of chloro 5-cyanopyridine-2-carboxylate?
The IUPAC name of chloro 5-cyanopyridine-2-carboxylate (CID 90373029) is chloro 5-cyanopyridine-2-carboxylate.
What is the SMILES notation for chloro 5-cyanopyridine-2-carboxylate?
The canonical SMILES for chloro 5-cyanopyridine-2-carboxylate is N#Cc1ccc(C(=O)OCl)nc1.
What is the InChIKey of chloro 5-cyanopyridine-2-carboxylate?
The InChIKey is DCVBDOXSBBBYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClN2O2/c8-12-7(11)6-2-1-5(3-9)4-10-6/h1-2,4H.
What are the key properties of chloro 5-cyanopyridine-2-carboxylate?
chloro 5-cyanopyridine-2-carboxylate has a molecular weight of 182.57 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 5-cyanopyridine-2-carboxylate is sourced from PubChem (CID 90373029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).