3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile

C9H10ClN3 — CID 107056636

IUPAC3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile
SMILESCC(C)Nc1nccc(C#N)c1Cl
InChIInChI=1S/C9H10ClN3/c1-6(2)13-9-8(10)7(5-11)3-4-12-9/h3-4,6H,1-2H3,(H,12,13)
InChIKeyPXSXDJYQWBNZHE-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.43
Rot. Bonds2

About 3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile

3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile (PubChem CID 107056636) has the molecular formula C9H10ClN3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile
PubChem CID107056636
Molecular FormulaC9H10ClN3
Molecular Weight195.65 g/mol
Exact Mass195.06
IUPAC Name3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile
SMILESCC(C)Nc1nccc(C#N)c1Cl
InChIInChI=1S/C9H10ClN3/c1-6(2)13-9-8(10)7(5-11)3-4-12-9/h3-4,6H,1-2H3,(H,12,13)
InChIKeyPXSXDJYQWBNZHE-UHFFFAOYSA-N
XLogP2.43
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-4-carbonitrile
CID 107057999
3-amino-2-(propan-2-ylamino)pyridine-4-carbonitrile
CID 82817119
3-chloro-2-(5-hydroxypentan-2-ylamino)pyridine-4-carbonitrile
CID 107058066
2-[1-(2-aminophenyl)ethylamino]-3-chloropyridine-4-carbonitrile
CID 107061450
3-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-4-carbonitrile
CID 107057219
3-chloro-2-(4-propan-2-ylanilino)pyridine-4-carbonitrile
CID 107056741
2-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-ethylpropanamide
CID 107057196
3-chloro-2-(hex-5-yn-3-ylamino)pyridine-4-carbonitrile
CID 107058411
3-chloro-2-(1-hydroxypentan-3-ylamino)pyridine-4-carbonitrile
CID 107058460
2-[(2-amino-3-methylbutyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061307
3-chloro-2-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile
CID 107058127
2-[(2-amino-1-cyclohexylethyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061374

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile (CID 107056636) is 3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile is CC(C)Nc1nccc(C#N)c1Cl.
What is the InChIKey of 3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile?
The InChIKey is PXSXDJYQWBNZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3/c1-6(2)13-9-8(10)7(5-11)3-4-12-9/h3-4,6H,1-2H3,(H,12,13).
What are the key properties of 3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile?
3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile has a molecular weight of 195.65 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 107056636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).