2-chloro-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile

C12H13ClN2O — CID 3824285

IUPAC2-chloro-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
SMILESCCCC1Cc2nc(Cl)c(C#N)cc2CO1
InChIInChI=1S/C12H13ClN2O/c1-2-3-10-5-11-9(7-16-10)4-8(6-14)12(13)15-11/h4,10H,2-3,5,7H2,1H3
InChIKeyKFVSRNXTWJGDHQ-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.85
Rot. Bonds2

About 2-chloro-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile

2-chloro-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (PubChem CID 3824285) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-chloro-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
PubChem CID3824285
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name2-chloro-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
SMILESCCCC1Cc2nc(Cl)c(C#N)cc2CO1
InChIInChI=1S/C12H13ClN2O/c1-2-3-10-5-11-9(7-16-10)4-8(6-14)12(13)15-11/h4,10H,2-3,5,7H2,1H3
InChIKeyKFVSRNXTWJGDHQ-UHFFFAOYSA-N
XLogP2.85
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-7-ethyl-7-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 4267450
2-Chloro-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 817267
2-chloro-7-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 3792453
6-Chloro-8-isopropyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 3534004
2-Amino-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 796275
2-chloro-5H,7H,8H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 61658914
2-chloro-5H,7H,8H-pyrano[4,3-b]pyridine
CID 71743618
2-chloro-5H,6H,8H-pyrano[3,4-b]pyridine-3-carbonitrile
CID 82606014
2-chloro-7,7-dimethyl-5H,7H-furo(3,4-b)pyridine-3-carbonitrile
CID 130773165
2-Chloro-4-(methoxymethyl)-6-methylnicotinonitrile
CID 741117
8-butyl-6-chloro-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 3100956
(2-Chloro-3-cyano-5,6,7,8-tetrahydroquinolin-8-yl) 2,2,2-trifluoroacetate
CID 164586851

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (CID 3824285) is 2-chloro-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is CCCC1Cc2nc(Cl)c(C#N)cc2CO1.
What is the InChIKey of 2-chloro-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The InChIKey is KFVSRNXTWJGDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-2-3-10-5-11-9(7-16-10)4-8(6-14)12(13)15-11/h4,10H,2-3,5,7H2,1H3.
What are the key properties of 2-chloro-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
2-chloro-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile has a molecular weight of 236.70 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 3824285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).