6-chloro-2-[4-(methylamino)but-1-enyl]pyridin-3-amine

C10H14ClN3 — CID 170495397

IUPAC6-chloro-2-[4-(methylamino)but-1-enyl]pyridin-3-amine
SMILESCNCCC=Cc1nc(Cl)ccc1N
InChIInChI=1S/C10H14ClN3/c1-13-7-3-2-4-9-8(12)5-6-10(11)14-9/h2,4-6,13H,3,7,12H2,1H3
InChIKeyXJVICZVKILGZPC-UHFFFAOYSA-N
MW211.70 g/mol
LogP1.94
Rot. Bonds4

About 6-chloro-2-[4-(methylamino)but-1-enyl]pyridin-3-amine

6-chloro-2-[4-(methylamino)but-1-enyl]pyridin-3-amine (PubChem CID 170495397) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 6-chloro-2-[4-(methylamino)but-1-enyl]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-2-[4-(methylamino)but-1-enyl]pyridin-3-amine
PubChem CID170495397
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name6-chloro-2-[4-(methylamino)but-1-enyl]pyridin-3-amine
SMILESCNCCC=Cc1nc(Cl)ccc1N
InChIInChI=1S/C10H14ClN3/c1-13-7-3-2-4-9-8(12)5-6-10(11)14-9/h2,4-6,13H,3,7,12H2,1H3
InChIKeyXJVICZVKILGZPC-UHFFFAOYSA-N
XLogP1.94
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-amino-6-chloro-2-pyridinyl)but-3-enal
CID 170481493
4-(6-chloro-2-pyridinyl)-N-methylbut-3-en-1-amine
CID 170495248
4-chloro-2-[4-(methylamino)but-1-enyl]aniline
CID 170495448
3-(3-amino-6-chloro-2-pyridinyl)prop-2-enal
CID 169458774
6-methyl-2-[3-(methylamino)prop-1-enyl]pyridin-3-amine
CID 169473261
2-[4-(methylamino)but-1-enyl]-4-(trifluoromethyl)aniline
CID 170496362
4-(2-chloro-4-pyridinyl)-N-methylbut-3-en-1-amine
CID 170495263
5-[4-(methylamino)but-1-enyl]pyrimidin-2-amine
CID 170495291
6-chloro-2-N-methyl-2-N-[3-(methylamino)propyl]pyridine-2,3-diamine
CID 115474337
3-chloro-5-[4-(methylamino)but-1-enyl]aniline
CID 170495443
2-amino-5-[4-(methylamino)but-1-enyl]benzonitrile
CID 170495703
ethyl 4-amino-3-[4-(methylamino)but-1-enyl]benzoate
CID 170496630

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-(methylamino)but-1-enyl]pyridin-3-amine?
The IUPAC name of 6-chloro-2-[4-(methylamino)but-1-enyl]pyridin-3-amine (CID 170495397) is 6-chloro-2-[4-(methylamino)but-1-enyl]pyridin-3-amine.
What is the SMILES notation for 6-chloro-2-[4-(methylamino)but-1-enyl]pyridin-3-amine?
The canonical SMILES for 6-chloro-2-[4-(methylamino)but-1-enyl]pyridin-3-amine is CNCCC=Cc1nc(Cl)ccc1N.
What is the InChIKey of 6-chloro-2-[4-(methylamino)but-1-enyl]pyridin-3-amine?
The InChIKey is XJVICZVKILGZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-13-7-3-2-4-9-8(12)5-6-10(11)14-9/h2,4-6,13H,3,7,12H2,1H3.
What are the key properties of 6-chloro-2-[4-(methylamino)but-1-enyl]pyridin-3-amine?
6-chloro-2-[4-(methylamino)but-1-enyl]pyridin-3-amine has a molecular weight of 211.70 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[4-(methylamino)but-1-enyl]pyridin-3-amine is sourced from PubChem (CID 170495397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).