5-chloro-2-N-pent-4-yn-2-ylpyridine-2,3-diamine

C10H12ClN3 — CID 130535478

IUPAC5-chloro-2-N-pent-4-yn-2-ylpyridine-2,3-diamine
SMILESC#CCC(C)Nc1ncc(Cl)cc1N
InChIInChI=1S/C10H12ClN3/c1-3-4-7(2)14-10-9(12)5-8(11)6-13-10/h1,5-7H,4,12H2,2H3,(H,13,14)
InChIKeySADUASXSFTUOGP-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.14
Rot. Bonds3

About 5-chloro-2-N-pent-4-yn-2-ylpyridine-2,3-diamine

5-chloro-2-N-pent-4-yn-2-ylpyridine-2,3-diamine (PubChem CID 130535478) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 5-chloro-2-N-pent-4-yn-2-ylpyridine-2,3-diamine.

Molecular Properties

Compound Name5-chloro-2-N-pent-4-yn-2-ylpyridine-2,3-diamine
PubChem CID130535478
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name5-chloro-2-N-pent-4-yn-2-ylpyridine-2,3-diamine
SMILESC#CCC(C)Nc1ncc(Cl)cc1N
InChIInChI=1S/C10H12ClN3/c1-3-4-7(2)14-10-9(12)5-8(11)6-13-10/h1,5-7H,4,12H2,2H3,(H,13,14)
InChIKeySADUASXSFTUOGP-UHFFFAOYSA-N
XLogP2.14
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-pent-4-yn-2-ylpyridin-2-amine
CID 115689385
2-[(3-amino-5-chloro-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide
CID 103106676
3,5-dichloro-N-(5-methylhexan-2-yl)pyridin-2-amine
CID 63925501
5-methyl-2-N-(5-methylhexan-2-yl)pyridine-2,3-diamine
CID 66278018
2-N-[(2R)-butan-2-yl]-5-methylpyridine-2,3-diamine
CID 93204113
2-chloro-5-nitro-N-pent-4-yn-2-ylpyrimidin-4-amine
CID 106196060
5-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,3-diamine
CID 66281281
N-pent-4-yn-2-ylpyrimidin-2-amine
CID 115658926
3-bromo-5-chloro-N-(6-methylheptan-2-yl)pyridin-2-amine
CID 114835786
5-chloro-3-fluoro-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 79728229
5-chloro-2-N-(2-methoxyethyl)pyridine-2,3-diamine
CID 79021487
2-[(3-bromo-5-chloro-2-pyridinyl)amino]propan-1-ol
CID 114835661

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-pent-4-yn-2-ylpyridine-2,3-diamine?
The IUPAC name of 5-chloro-2-N-pent-4-yn-2-ylpyridine-2,3-diamine (CID 130535478) is 5-chloro-2-N-pent-4-yn-2-ylpyridine-2,3-diamine.
What is the SMILES notation for 5-chloro-2-N-pent-4-yn-2-ylpyridine-2,3-diamine?
The canonical SMILES for 5-chloro-2-N-pent-4-yn-2-ylpyridine-2,3-diamine is C#CCC(C)Nc1ncc(Cl)cc1N.
What is the InChIKey of 5-chloro-2-N-pent-4-yn-2-ylpyridine-2,3-diamine?
The InChIKey is SADUASXSFTUOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-3-4-7(2)14-10-9(12)5-8(11)6-13-10/h1,5-7H,4,12H2,2H3,(H,13,14).
What are the key properties of 5-chloro-2-N-pent-4-yn-2-ylpyridine-2,3-diamine?
5-chloro-2-N-pent-4-yn-2-ylpyridine-2,3-diamine has a molecular weight of 209.68 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-pent-4-yn-2-ylpyridine-2,3-diamine is sourced from PubChem (CID 130535478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).